N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide

C12H18N4O — CID 122441446

IUPACN,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N[C@@H]1CCNC1
InChIInChI=1S/C12H18N4O/c1-16(2)12(17)10-4-3-6-14-11(10)15-9-5-7-13-8-9/h3-4,6,9,13H,5,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyMTHLDFHTYSVAHD-SECBINFHSA-N
MW234.30 g/mol
LogP0.56
Rot. Bonds3

About N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide

N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide (PubChem CID 122441446) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
PubChem CID122441446
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1N[C@@H]1CCNC1
InChIInChI=1S/C12H18N4O/c1-16(2)12(17)10-4-3-6-14-11(10)15-9-5-7-13-8-9/h3-4,6,9,13H,5,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyMTHLDFHTYSVAHD-SECBINFHSA-N
XLogP0.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-(pyrrolidin-3-ylamino)benzamide
CID 79731257
3-fluoro-N-pyrrolidin-3-ylpyridin-2-amine
CID 62732869
methyl 2-[4-(pyrrolidin-3-ylamino)anilino]pyridine-3-carboxylate
CID 142730255
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
N-pyrrolidin-3-ylpyridin-2-amine
CID 19814840
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
[(1R)-5-hydroxy-2-adamantyl] 3-[[3-(dimethylcarbamoyl)-2-pyridinyl]amino]pyrrolidine-1-carboxylate
CID 66884607
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
N,N-dimethyl-2-(2-methylpropyl)pyridine-3-carboxamide
CID 58286837
N-methyl-N-pyrrolidin-3-yl-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide;hydrochloride
CID 119553397

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide (CID 122441446) is N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide is CN(C)C(=O)c1cccnc1N[C@@H]1CCNC1.
What is the InChIKey of N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is MTHLDFHTYSVAHD-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16(2)12(17)10-4-3-6-14-11(10)15-9-5-7-13-8-9/h3-4,6,9,13H,5,7-8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide?
N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3R)-pyrrolidin-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 122441446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).