N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide

C21H25N3O — CID 95189282

IUPACN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC[C@H]1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H25N3O/c1-15-5-4-9-22-20(15)21(25)23-13-16-8-10-24(14-16)19-11-17-6-2-3-7-18(17)12-19/h2-7,9,16,19H,8,10-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyNXRKHLQAFFGUGN-MRXNPFEDSA-N
MW335.45 g/mol
LogP2.61
Rot. Bonds4

About N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide (PubChem CID 95189282) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
PubChem CID95189282
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)NC[C@H]1CCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C21H25N3O/c1-15-5-4-9-22-20(15)21(25)23-13-16-8-10-24(14-16)19-11-17-6-2-3-7-18(17)12-19/h2-7,9,16,19H,8,10-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyNXRKHLQAFFGUGN-MRXNPFEDSA-N
XLogP2.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-2-pyridin-2-ylacetamide
CID 95188805
2-[(1-cyclopropylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63615089
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95203939
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-2-carboxamide
CID 134434405
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-methyl-1-phenyltriazole-4-carboxamide
CID 138999013
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(2-methylphenyl)cyclopropane-1-carboxamide
CID 71930081
1-[(2-methylphenyl)methyl]-3-[[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methyl]urea
CID 95222597
2-[(1-propan-2-ylpyrrolidin-3-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63616085
N-[[2-(bromomethyl)cyclohexyl]methyl]-3-methylpyridine-2-carboxamide
CID 114317374
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethoxybenzamide
CID 47031179

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide (CID 95189282) is N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)NC[C@H]1CCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide?
The InChIKey is NXRKHLQAFFGUGN-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15-5-4-9-22-20(15)21(25)23-13-16-8-10-24(14-16)19-11-17-6-2-3-7-18(17)12-19/h2-7,9,16,19H,8,10-14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide?
N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 95189282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).