N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide

C14H22N4O2 — CID 105068732

IUPACN-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C14H22N4O2/c1-4-6-16-12-8-15-7-5-11(12)14(20)17-9-13(19)18-10(2)3/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySRYIJSLJUPITDG-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.16
Rot. Bonds7

About N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide

N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105068732) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
PubChem CID105068732
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NCC(=O)NC(C)C
InChIInChI=1S/C14H22N4O2/c1-4-6-16-12-8-15-7-5-11(12)14(20)17-9-13(19)18-10(2)3/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,17,20)(H,18,19)
InChIKeySRYIJSLJUPITDG-UHFFFAOYSA-N
XLogP1.16
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071089
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
6-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238236
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)pyridine-4-carboxamide
CID 105070967
N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105070483
3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
N-[(3-methyl-4-pyridinyl)methyl]-3-(propylamino)pyridine-4-carboxamide
CID 105071463
3-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)pyridine-4-carboxamide
CID 106295553
N-(3-methylsulfanylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105070236
N-(2-methoxy-2-methylpropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071169

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide (CID 105068732) is N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NCC(=O)NC(C)C.
What is the InChIKey of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is SRYIJSLJUPITDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-6-16-12-8-15-7-5-11(12)14(20)17-9-13(19)18-10(2)3/h5,7-8,10,16H,4,6,9H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide?
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105068732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).