(3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

C23H29N3O — CID 92592512

IUPAC(3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CC2CC2)C1
InChIInChI=1S/C23H29N3O/c1-2-25-22(27)23(11-14-26(17-23)16-19-3-4-19)15-18-5-7-20(8-6-18)21-9-12-24-13-10-21/h5-10,12-13,19H,2-4,11,14-17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyAUPQQKIFTYNACX-QHCPKHFHSA-N
MW363.51 g/mol
LogP3.53
Rot. Bonds7

About (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide

(3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 92592512) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
PubChem CID92592512
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CC2CC2)C1
InChIInChI=1S/C23H29N3O/c1-2-25-22(27)23(11-14-26(17-23)16-19-3-4-19)15-18-5-7-20(8-6-18)21-9-12-24-13-10-21/h5-10,12-13,19H,2-4,11,14-17H2,1H3,(H,25,27)/t23-/m0/s1
InChIKeyAUPQQKIFTYNACX-QHCPKHFHSA-N
XLogP3.53
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(cyclopropylmethyl)-N-propan-2-yl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579687
(3S)-N-propan-2-yl-1-(pyridin-4-ylmethyl)-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92580024
1-(cyclopropylmethyl)-N-ethyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231835
1-(2-cyclopentylacetyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232124
N-ethyl-1-(pyridine-3-carbonyl)-4-[(4-pyridin-4-ylphenyl)methyl]piperidine-4-carboxamide
CID 110083678
1-(2-cyclopentylacetyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231361
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92591832
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 125026020
(3R)-N-ethyl-1-[(2-ethylpyrimidin-5-yl)methyl]-3-[(4-phenylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92589296
(3S)-1-(cyclobutanecarbonyl)-N-ethyl-3-[(4-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92592235
1-(cyclopropylmethyl)-4-[(4-phenylphenyl)methyl]-N-prop-2-enylpiperidine-4-carboxamide
CID 110083847
1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231391

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide (CID 92592512) is (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is CCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCN(CC2CC2)C1.
What is the InChIKey of (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is AUPQQKIFTYNACX-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H29N3O/c1-2-25-22(27)23(11-14-26(17-23)16-19-3-4-19)15-18-5-7-20(8-6-18)21-9-12-24-13-10-21/h5-10,12-13,19H,2-4,11,14-17H2,1H3,(H,25,27)/t23-/m0/s1.
What are the key properties of (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide?
(3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(cyclopropylmethyl)-N-ethyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 92592512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).