6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide

C15H18N4O2 — CID 133441783

IUPAC6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC(=O)NCC2CC2)nc1
InChIInChI=1S/C15H18N4O2/c1-2-7-16-15(21)12-5-6-13(17-9-12)18-10-14(20)19-8-11-3-4-11/h1,5-6,9,11H,3-4,7-8,10H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRYBQRLCWCLIRJJ-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.38
Rot. Bonds7

About 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide

6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133441783) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133441783
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(NCC(=O)NCC2CC2)nc1
InChIInChI=1S/C15H18N4O2/c1-2-7-16-15(21)12-5-6-13(17-9-12)18-10-14(20)19-8-11-3-4-11/h1,5-6,9,11H,3-4,7-8,10H2,(H,16,21)(H,17,18)(H,19,20)
InChIKeyRYBQRLCWCLIRJJ-UHFFFAOYSA-N
XLogP0.38
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133441834
N-prop-2-ynyl-6-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methylamino]pyridine-3-carboxamide
CID 133486904
6-(cyclopent-3-en-1-ylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133362088
6-(1,4-diazabicyclo[2.2.2]octan-2-ylmethylamino)-N-prop-2-ynylpyridine-3-carboxamide
CID 133399815
N-(cyclobutylmethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62168464
(2R)-2-[[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]amino]propanoic acid
CID 122049964
6-[2-(5-ethyl-1,3-thiazol-2-yl)ethylamino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133325827
6-[[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133357122
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133477137
6-[(1-phenyl-2-pyrrolidin-1-ylethyl)amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133316628
N-(cyclopropylmethyl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62180065

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide (CID 133441783) is 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(NCC(=O)NCC2CC2)nc1.
What is the InChIKey of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is RYBQRLCWCLIRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-7-16-15(21)12-5-6-13(17-9-12)18-10-14(20)19-8-11-3-4-11/h1,5-6,9,11H,3-4,7-8,10H2,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide?
6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133441783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).