N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C24H25N3O2 — CID 134802964

IUPACN-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(CN2CCC(NC(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-23-7-3-2-6-22(23)19-10-8-18(9-11-19)16-27-14-12-21(17-27)26-24(28)20-5-4-13-25-15-20/h2-11,13,15,21H,12,14,16-17H2,1H3,(H,26,28)
InChIKeyANKDGIGMAIGDHT-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.76
Rot. Bonds6

About N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide

N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 134802964) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID134802964
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccc(CN2CCC(NC(=O)c3cccnc3)C2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-23-7-3-2-6-22(23)19-10-8-18(9-11-19)16-27-14-12-21(17-27)26-24(28)20-5-4-13-25-15-20/h2-11,13,15,21H,12,14,16-17H2,1H3,(H,26,28)
InChIKeyANKDGIGMAIGDHT-UHFFFAOYSA-N
XLogP3.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
CID 164633693
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920
4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 53185597
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 94024983
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(2-phenylphenoxy)acetamide
CID 41095172
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 134802964) is N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is COc1ccccc1-c1ccc(CN2CCC(NC(=O)c3cccnc3)C2)cc1.
What is the InChIKey of N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is ANKDGIGMAIGDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-23-7-3-2-6-22(23)19-10-8-18(9-11-19)16-27-14-12-21(17-27)26-24(28)20-5-4-13-25-15-20/h2-11,13,15,21H,12,14,16-17H2,1H3,(H,26,28).
What are the key properties of N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(2-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 134802964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).