6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide

C22H30N6O2 — CID 91226747

IUPAC6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide
SMILESC=C(C)c1nc(C(C)(C)CCNC(=O)NCc2ccc(N)nc2)ccc1C(=O)NC
InChIInChI=1S/C22H30N6O2/c1-14(2)19-16(20(29)24-5)7-8-17(28-19)22(3,4)10-11-25-21(30)27-13-15-6-9-18(23)26-12-15/h6-9,12H,1,10-11,13H2,2-5H3,(H2,23,26)(H,24,29)(H2,25,27,30)
InChIKeyZLWLSCMYBVOLKC-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.62
Rot. Bonds8

About 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide (PubChem CID 91226747) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide
PubChem CID91226747
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide
SMILESC=C(C)c1nc(C(C)(C)CCNC(=O)NCc2ccc(N)nc2)ccc1C(=O)NC
InChIInChI=1S/C22H30N6O2/c1-14(2)19-16(20(29)24-5)7-8-17(28-19)22(3,4)10-11-25-21(30)27-13-15-6-9-18(23)26-12-15/h6-9,12H,1,10-11,13H2,2-5H3,(H2,23,26)(H,24,29)(H2,25,27,30)
InChIKeyZLWLSCMYBVOLKC-UHFFFAOYSA-N
XLogP2.62
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide
CID 46917678
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
CID 46917960
N-[(6-amino-3-pyridinyl)methyl]-5-chloro-2-(trifluoromethyl)pyridine-4-carboxamide
CID 166319426
1-[(6-amino-3-pyridinyl)methyl]-3-(4-bromophenyl)urea
CID 134813904
N-[(6-amino-3-pyridinyl)methyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 166319423
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
ethyl 2-[(6-amino-3-pyridinyl)methylcarbamothioylamino]acetate
CID 87327145
4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-chlorobenzamide
CID 86819891
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
6-amino-N-[(4-aminophenyl)methyl]pyridine-3-carboxamide
CID 89088351
tert-butyl N-[2-(6-amino-3-pyridinyl)ethyl]carbamate
CID 86238106
(3S)-N'-[(6-amino-3-pyridinyl)methyl]-3-[(4-fluorophenyl)methyl]-2-(methylamino)-2-propan-2-ylbutanediamide
CID 140547517

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide (CID 91226747) is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide is C=C(C)c1nc(C(C)(C)CCNC(=O)NCc2ccc(N)nc2)ccc1C(=O)NC.
What is the InChIKey of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide?
The InChIKey is ZLWLSCMYBVOLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-14(2)19-16(20(29)24-5)7-8-17(28-19)22(3,4)10-11-25-21(30)27-13-15-6-9-18(23)26-12-15/h6-9,12H,1,10-11,13H2,2-5H3,(H2,23,26)(H,24,29)(H2,25,27,30).
What are the key properties of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide?
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 2.62, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 91226747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).