4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane

C33H44N8O4 — CID 144529714

IUPAC4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.[H]/N=C(\c1cccc(N2CCC(NC=O)(C(N)=O)CC2)n1)c1cc(-c2cccnc2)ncc1NC1CCCCO1
InChIInChI=1S/C28H32N8O3.C5H12O/c29-26(21-6-3-7-24(34-21)36-12-9-28(10-13-36,27(30)38)33-18-37)20-15-22(19-5-4-11-31-16-19)32-17-23(20)35-25-8-1-2-14-39-25;1-5(2,3)6-4/h3-7,11,15-18,25,29,35H,1-2,8-10,12-14H2,(H2,30,38)(H,33,37);1-4H3/b29-26-;
InChIKeyLJWJAKASBVKPAP-DJUUNRNFSA-N
MW616.77 g/mol
LogP3.89
Rot. Bonds9

About 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane

4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane (PubChem CID 144529714) has the molecular formula C33H44N8O4 and a molecular weight of 616.77 g/mol. Its IUPAC name is 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane.

Molecular Properties

Compound Name4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane
PubChem CID144529714
Molecular FormulaC33H44N8O4
Molecular Weight616.77 g/mol
Exact Mass616.35
IUPAC Name4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane
SMILESCOC(C)(C)C.[H]/N=C(\c1cccc(N2CCC(NC=O)(C(N)=O)CC2)n1)c1cc(-c2cccnc2)ncc1NC1CCCCO1
InChIInChI=1S/C28H32N8O3.C5H12O/c29-26(21-6-3-7-24(34-21)36-12-9-28(10-13-36,27(30)38)33-18-37)20-15-22(19-5-4-11-31-16-19)32-17-23(20)35-25-8-1-2-14-39-25;1-5(2,3)6-4/h3-7,11,15-18,25,29,35H,1-2,8-10,12-14H2,(H2,30,38)(H,33,37);1-4H3/b29-26-;
InChIKeyLJWJAKASBVKPAP-DJUUNRNFSA-N
XLogP3.89
TPSA168.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500616.77
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 66836906
N-[2-(2-piperazin-1-yl-4-pyridinyl)-6-(pyrazin-2-ylamino)-4-pyridinyl]piperidine-4-carboxamide
CID 67127837
3-amino-N-[3-[4-amino-4-(2-methoxyethyl)piperidin-1-yl]pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873257
US10251893, Cpd 187
CID 58447666
6-(4-Fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-2-ylmethyl)pyrido[2,3-b]pyrazin-3-one
CID 70314589
6-(4-Fluorophenyl)-2-[2-(oxan-4-yl)ethylamino]-4-(pyridin-3-ylmethyl)pyrido[2,3-b]pyrazin-3-one
CID 70318424
4-(2,3-Dihydropyridin-3-ylmethyl)-6-(6-fluoro-3-pyridinyl)-2-[2-(oxan-4-yl)ethylamino]pyrido[2,3-b]pyrazin-3-one
CID 70318657
tert-butyl N-[1-[2-[[3-amino-6-[6-morpholin-4-yl-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carbonyl]amino]pyridin-3-yl]piperidin-4-yl]carbamate
CID 140701828
N-[5-[5-fluoro-4-[4-(methylideneamino)-5-(4-methylpiperazin-1-yl)-1,4-dihydro-1,6-naphthyridin-2-yl]-1,2-dihydropyrido[3,4-d]pyrimidin-6-yl]-3-pyridinyl]pentanamide
CID 145033840
tert-butyl 4-[[(6-morpholin-4-yl-3-pyridinyl)-[2-(oxan-4-yl)acetyl]amino]methyl]piperidine-1-carboxylate;N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-(piperidin-4-ylmethyl)acetamide;N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide;hydrochloride
CID 157562069
N'-[2-[6-[2-(3-cyanopropoxy)ethoxy]hexylamino]-2-oxoethyl]-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]-N'-methylbutanediamide
CID 166959449
N'-[2-[3-[2-[2-(3-cyanopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethyl]-N-[5-(3-fluoro-4-pyridinyl)-6-pyridin-3-ylpyrazin-2-yl]-N'-methylbutanediamide
CID 166959481

Frequently Asked Questions

What is the IUPAC name of 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane?
The IUPAC name of 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane (CID 144529714) is 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane.
What is the SMILES notation for 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane?
The canonical SMILES for 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane is COC(C)(C)C.[H]/N=C(\c1cccc(N2CCC(NC=O)(C(N)=O)CC2)n1)c1cc(-c2cccnc2)ncc1NC1CCCCO1.
What is the InChIKey of 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane?
The InChIKey is LJWJAKASBVKPAP-DJUUNRNFSA-N. The full InChI is InChI=1S/C28H32N8O3.C5H12O/c29-26(21-6-3-7-24(34-21)36-12-9-28(10-13-36,27(30)38)33-18-37)20-15-22(19-5-4-11-31-16-19)32-17-23(20)35-25-8-1-2-14-39-25;1-5(2,3)6-4/h3-7,11,15-18,25,29,35H,1-2,8-10,12-14H2,(H2,30,38)(H,33,37);1-4H3/b29-26-;.
What are the key properties of 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane?
4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane has a molecular weight of 616.77 g/mol, XLogP of 3.89, 9 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formamido-1-[6-[5-(oxan-2-ylamino)-2-pyridin-3-ylpyridine-4-carboximidoyl]-2-pyridinyl]piperidine-4-carboxamide;2-methoxy-2-methylpropane is sourced from PubChem (CID 144529714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).