methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate

C19H27N3O3 — CID 124616958

IUPACmethyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)N2CCC[C@@H]2c2ccncc2)CCCCC1
InChIInChI=1S/C19H27N3O3/c1-25-17(23)19(9-3-2-4-10-19)14-21-18(24)22-13-5-6-16(22)15-7-11-20-12-8-15/h7-8,11-12,16H,2-6,9-10,13-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyBPJWDQAVXYFJOR-MRXNPFEDSA-N
MW345.44 g/mol
LogP3.05
Rot. Bonds4

About methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate

methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 124616958) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID124616958
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Namemethyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)N2CCC[C@@H]2c2ccncc2)CCCCC1
InChIInChI=1S/C19H27N3O3/c1-25-17(23)19(9-3-2-4-10-19)14-21-18(24)22-13-5-6-16(22)15-7-11-20-12-8-15/h7-8,11-12,16H,2-6,9-10,13-14H2,1H3,(H,21,24)/t16-/m1/s1
InChIKeyBPJWDQAVXYFJOR-MRXNPFEDSA-N
XLogP3.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2S)-N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94058768
2-pyridin-4-yl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-1-carboxamide
CID 51084887
N-(1,4-dioxan-2-ylmethyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71938899
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87000351
N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94120791
(2S)-N-[3-(3,4-dimethoxyphenyl)propyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 52521085
N-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 71886556
(2S)-N-[(2S)-2-[cyclopropyl(methyl)amino]propyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 97087324
2-pyridin-4-yl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrrolidine-1-carboxamide
CID 86988125

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate (CID 124616958) is methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNC(=O)N2CCC[C@@H]2c2ccncc2)CCCCC1.
What is the InChIKey of methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is BPJWDQAVXYFJOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-25-17(23)19(9-3-2-4-10-19)14-21-18(24)22-13-5-6-16(22)15-7-11-20-12-8-15/h7-8,11-12,16H,2-6,9-10,13-14H2,1H3,(H,21,24)/t16-/m1/s1.
What are the key properties of methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate?
methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 345.44 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[[(2R)-2-pyridin-4-ylpyrrolidine-1-carbonyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 124616958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).