4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide

C12H18N4O2 — CID 43598983

IUPAC4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC2CNC[C@@H]2OC)ccn1
InChIInChI=1S/C12H18N4O2/c1-13-12(17)9-5-8(3-4-15-9)16-10-6-14-7-11(10)18-2/h3-5,10-11,14H,6-7H2,1-2H3,(H,13,17)(H,15,16)/t10?,11-/m0/s1
InChIKeyQIEOXKNXXMRZSE-DTIOYNMSSA-N
MW250.30 g/mol
LogP-0.16
Rot. Bonds4

About 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide

4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 43598983) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID43598983
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC2CNC[C@@H]2OC)ccn1
InChIInChI=1S/C12H18N4O2/c1-13-12(17)9-5-8(3-4-15-9)16-10-6-14-7-11(10)18-2/h3-5,10-11,14H,6-7H2,1-2H3,(H,13,17)(H,15,16)/t10?,11-/m0/s1
InChIKeyQIEOXKNXXMRZSE-DTIOYNMSSA-N
XLogP-0.16
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(piperidin-3-ylamino)pyridine-2-carboxamide
CID 63319202
N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-2-carboxamide
CID 64667795
4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 43517715
N-(4-methoxypyrrolidin-3-yl)-1,3-thiazole-4-carboxamide
CID 76982257
4-(3-azabicyclo[3.1.0]hexan-6-ylamino)-N-ethylpyridine-2-carboxamide
CID 43599108
4-(1-methoxypropan-2-ylamino)-N-methylpyridine-2-carboxamide
CID 43395783
acetic acid;2-methoxy-N-[(3S,4S)-4-methoxypyrrolidin-3-yl]pyridine-4-carboxamide
CID 154910821
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N-methylpyridine-2-carboxamide
CID 43517740
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 106876065
N-methyl-4-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyridine-2-carboxamide
CID 60704921
4-[(4-aminocyclohexyl)methylamino]-N-methylpyridine-2-carboxamide
CID 106129174

Frequently Asked Questions

What is the IUPAC name of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide (CID 43598983) is 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(NC2CNC[C@@H]2OC)ccn1.
What is the InChIKey of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is QIEOXKNXXMRZSE-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-13-12(17)9-5-8(3-4-15-9)16-10-6-14-7-11(10)18-2/h3-5,10-11,14H,6-7H2,1-2H3,(H,13,17)(H,15,16)/t10?,11-/m0/s1.
What are the key properties of 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide?
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43598983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).