(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

C19H29N3O2 — CID 94871507

IUPAC(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)ccn1
InChIInChI=1S/C19H29N3O2/c1-24-18-13-16(9-10-20-18)14-21-19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyINLCJPDVHDXEEH-KRWDZBQOSA-N
MW331.46 g/mol
LogP3.73
Rot. Bonds5

About (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide

(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (PubChem CID 94871507) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
PubChem CID94871507
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)ccn1
InChIInChI=1S/C19H29N3O2/c1-24-18-13-16(9-10-20-18)14-21-19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyINLCJPDVHDXEEH-KRWDZBQOSA-N
XLogP3.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 96999867
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-[(2-methoxy-4-pyridinyl)methyl]-3-(oxan-4-ylmethyl)morpholine-4-carboxamide
CID 136568232
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
1-cyclohexyl-1-ethyl-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 87003445
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylmorpholine-4-carboxamide
CID 71940734
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide (CID 94871507) is (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is COc1cc(CNC(=O)N2CCC[C@H]2CC2CCCCC2)ccn1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is INLCJPDVHDXEEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-24-18-13-16(9-10-20-18)14-21-19(23)22-11-5-8-17(22)12-15-6-3-2-4-7-15/h9-10,13,15,17H,2-8,11-12,14H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide?
(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 94871507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).