N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

C17H26N4O2 — CID 47048297

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCCC(N3CCCC3)C2)ccn1
InChIInChI=1S/C17H26N4O2/c1-23-16-11-14(6-7-18-16)12-19-17(22)21-10-4-5-15(13-21)20-8-2-3-9-20/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,19,22)
InChIKeyNZCJSUUSLHRFBT-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.86
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (PubChem CID 47048297) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
PubChem CID47048297
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
SMILESCOc1cc(CNC(=O)N2CCCC(N3CCCC3)C2)ccn1
InChIInChI=1S/C17H26N4O2/c1-23-16-11-14(6-7-18-16)12-19-17(22)21-10-4-5-15(13-21)20-8-2-3-9-20/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,19,22)
InChIKeyNZCJSUUSLHRFBT-UHFFFAOYSA-N
XLogP1.86
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-methoxypiperidine-1-carboxamide
CID 95316935
N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 34677256
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 87003451
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483
2-[(2-methoxy-4-pyridinyl)methyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926333
(2S)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 94871507
(2R)-2-(cyclohexylmethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 96999867
(2R)-N-[(2-methoxy-4-pyridinyl)methyl]-2-phenylazetidine-1-carboxamide
CID 94052771
2-[(2-methoxy-4-pyridinyl)methylamino]-1-piperidin-1-ylethanone
CID 62990090
2-(4-chlorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]morpholine-4-carboxamide
CID 87036072
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019519

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide (CID 47048297) is N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is COc1cc(CNC(=O)N2CCCC(N3CCCC3)C2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
The InChIKey is NZCJSUUSLHRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-23-16-11-14(6-7-18-16)12-19-17(22)21-10-4-5-15(13-21)20-8-2-3-9-20/h6-7,11,15H,2-5,8-10,12-13H2,1H3,(H,19,22).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 47048297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).