2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride

C16H26Cl2N4O — CID 154898772

IUPAC2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride
SMILESCNC(=O)c1cccnc1N1C[C@H](C2CC2)[C@@H](N(C)C)C1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-17-16(21)12-5-4-8-18-15(12)20-9-13(11-6-7-11)14(10-20)19(2)3;;/h4-5,8,11,13-14H,6-7,9-10H2,1-3H3,(H,17,21);2*1H/t13-,14+;;/m1../s1
InChIKeyQQCVOBVAOYKKRH-BQFBZIMZSA-N
MW361.32 g/mol
LogP2.06
Rot. Bonds4

About 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride

2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride (PubChem CID 154898772) has the molecular formula C16H26Cl2N4O and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride
PubChem CID154898772
Molecular FormulaC16H26Cl2N4O
Molecular Weight361.32 g/mol
Exact Mass360.15
IUPAC Name2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride
SMILESCNC(=O)c1cccnc1N1C[C@H](C2CC2)[C@@H](N(C)C)C1.Cl.Cl
InChIInChI=1S/C16H24N4O.2ClH/c1-17-16(21)12-5-4-8-18-15(12)20-9-13(11-6-7-11)14(10-20)19(2)3;;/h4-5,8,11,13-14H,6-7,9-10H2,1-3H3,(H,17,21);2*1H/t13-,14+;;/m1../s1
InChIKeyQQCVOBVAOYKKRH-BQFBZIMZSA-N
XLogP2.06
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-methylpyridine-3-carboxamide
CID 56901128
N-methyl-2-[3-(methylcarbamoyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135095238
N-methyl-2-(4-pyridin-4-ylpiperidin-1-yl)pyridine-3-carboxamide
CID 155950461
(3S,4R)-1-[3-(methylcarbamoyl)-2-pyridinyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 70714830
2-[3-(1-hydroxyethyl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133397673
2-[(3R,4S)-3-(3-hydroxypropanoylamino)-4-propylpyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;hydrochloride
CID 154898059
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
2-(2,3-dimethylpyrrolidin-1-yl)-N-methylpyridine-3-carboxamide
CID 133357626
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
(3S,4S)-4-cyclopropyl-1-[3-(piperidine-1-carbonyl)-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 86283173
2-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133362039

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride (CID 154898772) is 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride is CNC(=O)c1cccnc1N1C[C@H](C2CC2)[C@@H](N(C)C)C1.Cl.Cl.
What is the InChIKey of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is QQCVOBVAOYKKRH-BQFBZIMZSA-N. The full InChI is InChI=1S/C16H24N4O.2ClH/c1-17-16(21)12-5-4-8-18-15(12)20-9-13(11-6-7-11)14(10-20)19(2)3;;/h4-5,8,11,13-14H,6-7,9-10H2,1-3H3,(H,17,21);2*1H/t13-,14+;;/m1../s1.
What are the key properties of 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride?
2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 361.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-cyclopropyl-4-(dimethylamino)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154898772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).