N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide

C19H27N5O — CID 154749067

IUPACN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)C1CCCCN1C(C)C
InChIInChI=1S/C19H27N5O/c1-14(2)23-11-5-4-8-17(23)19(25)22-13-16-7-6-9-21-18(16)24-12-10-20-15(24)3/h6-7,9-10,12,14,17H,4-5,8,11,13H2,1-3H3,(H,22,25)
InChIKeyXGYWNHQLAGMNIT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.45
Rot. Bonds5

About N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide

N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide (PubChem CID 154749067) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
PubChem CID154749067
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC NameN-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide
SMILESCc1nccn1-c1ncccc1CNC(=O)C1CCCCN1C(C)C
InChIInChI=1S/C19H27N5O/c1-14(2)23-11-5-4-8-17(23)19(25)22-13-16-7-6-9-21-18(16)24-12-10-20-15(24)3/h6-7,9-10,12,14,17H,4-5,8,11,13H2,1-3H3,(H,22,25)
InChIKeyXGYWNHQLAGMNIT-UHFFFAOYSA-N
XLogP2.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-2-(furan-2-yl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 99845704
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]butan-2-amine
CID 130198321
N-[[2-(benzimidazol-1-yl)-3-pyridinyl]methyl]-1-methylpiperidine-2-carboxamide
CID 45182568
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3,3-diphenylpropanamide
CID 60565634
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-pyridin-3-ylcyclopentane-1-carboxamide
CID 139008860
1-(4-fluorophenyl)-N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]cyclobutane-1-carboxamide
CID 138996652
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
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(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
(2S)-1-methyl-N-[[2-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]methyl]azepane-2-carboxamide
CID 25461455
1-(3-fluoro-4-methylphenyl)-3-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]urea
CID 56818885
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 111784685

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide?
The IUPAC name of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide (CID 154749067) is N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide.
What is the SMILES notation for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide?
The canonical SMILES for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide is Cc1nccn1-c1ncccc1CNC(=O)C1CCCCN1C(C)C.
What is the InChIKey of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide?
The InChIKey is XGYWNHQLAGMNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)23-11-5-4-8-17(23)19(25)22-13-16-7-6-9-21-18(16)24-12-10-20-15(24)3/h6-7,9-10,12,14,17H,4-5,8,11,13H2,1-3H3,(H,22,25).
What are the key properties of N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide?
N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-1-propan-2-ylpiperidine-2-carboxamide is sourced from PubChem (CID 154749067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).