2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide

C12H16N4O3 — CID 119897971

IUPAC2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)[C@@H]2CCCN2)cc1C(N)=O
InChIInChI=1S/C12H16N4O3/c1-19-12-8(10(13)17)5-7(6-15-12)16-11(18)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3,(H2,13,17)(H,16,18)/t9-/m0/s1
InChIKeyYFZKHFAYRZATSP-VIFPVBQESA-N
MW264.28 g/mol
LogP-0.12
Rot. Bonds4

About 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide (PubChem CID 119897971) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide
PubChem CID119897971
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide
SMILESCOc1ncc(NC(=O)[C@@H]2CCCN2)cc1C(N)=O
InChIInChI=1S/C12H16N4O3/c1-19-12-8(10(13)17)5-7(6-15-12)16-11(18)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3,(H2,13,17)(H,16,18)/t9-/m0/s1
InChIKeyYFZKHFAYRZATSP-VIFPVBQESA-N
XLogP-0.12
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-carbamoyl-4-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119316570
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-2-carboxamide
CID 43432164
2-methoxy-5-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]pyridine-3-carboxamide
CID 129471163
(2S)-N-(3-bromo-5-methoxyphenyl)pyrrolidine-2-carboxamide
CID 82867240
5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167598546
(2S)-N-(5-methyl-3-pyridinyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119884720
(2R)-N-(3-methoxyphenyl)azepane-2-carboxamide
CID 124509646
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
(2R)-N-quinolin-3-ylpyrrolidine-2-carboxamide
CID 103813435
(2R)-N-(3-ethoxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 103795109
N-(3,5-dichloro-4-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312729
(2R)-N-[3-methoxy-2-[2-methoxy-6-[[(2R)-pyrrolidine-2-carbonyl]amino]phenyl]phenyl]pyrrolidine-2-carboxamide
CID 102160795

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide (CID 119897971) is 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide is COc1ncc(NC(=O)[C@@H]2CCCN2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide?
The InChIKey is YFZKHFAYRZATSP-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N4O3/c1-19-12-8(10(13)17)5-7(6-15-12)16-11(18)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3,(H2,13,17)(H,16,18)/t9-/m0/s1.
What are the key properties of 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide?
2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of -0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[(2S)-pyrrolidine-2-carbonyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 119897971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).