N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide

C17H23N5O2 — CID 131929012

IUPACN-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CCN(Cc3ncc[nH]3)CC2)ccn1
InChIInChI=1S/C17H23N5O2/c1-24-16-10-14(2-5-20-16)17(23)21-11-13-3-8-22(9-4-13)12-15-18-6-7-19-15/h2,5-7,10,13H,3-4,8-9,11-12H2,1H3,(H,18,19)(H,21,23)
InChIKeyNRPZQQLABGAZAX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.46
Rot. Bonds6

About N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide

N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide (PubChem CID 131929012) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide
PubChem CID131929012
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide
SMILESCOc1cc(C(=O)NCC2CCN(Cc3ncc[nH]3)CC2)ccn1
InChIInChI=1S/C17H23N5O2/c1-24-16-10-14(2-5-20-16)17(23)21-11-13-3-8-22(9-4-13)12-15-18-6-7-19-15/h2,5-7,10,13H,3-4,8-9,11-12H2,1H3,(H,18,19)(H,21,23)
InChIKeyNRPZQQLABGAZAX-UHFFFAOYSA-N
XLogP1.46
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25284964
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-2-methoxypyridine-4-carboxamide
CID 131945804
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960
2-methoxy-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 84580344
3-methyl-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895986
3,4,5-trimethoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896001
2-[(2-methoxypyridine-4-carbonyl)amino]acetic acid
CID 170946630
4-methoxy-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895998
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
2-methoxy-N-[2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]ethyl]pyridine-4-carboxamide
CID 95214166
N-[[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]methyl]-2-methoxypyridine-4-carboxamide
CID 155996222

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide (CID 131929012) is N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide is COc1cc(C(=O)NCC2CCN(Cc3ncc[nH]3)CC2)ccn1.
What is the InChIKey of N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is NRPZQQLABGAZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-16-10-14(2-5-20-16)17(23)21-11-13-3-8-22(9-4-13)12-15-18-6-7-19-15/h2,5-7,10,13H,3-4,8-9,11-12H2,1H3,(H,18,19)(H,21,23).
What are the key properties of N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide?
N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]methyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 131929012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).