N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide

C22H26N6O — CID 72852570

IUPACN-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc1
InChIInChI=1S/C22H26N6O/c1-17(29)25-14-18-4-5-21(26-15-18)27-10-6-20(7-11-27)22-24-9-12-28(22)16-19-3-2-8-23-13-19/h2-5,8-9,12-13,15,20H,6-7,10-11,14,16H2,1H3,(H,25,29)
InChIKeyZCYFDLWVLHVVRJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.74
Rot. Bonds6

About N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide

N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide (PubChem CID 72852570) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
PubChem CID72852570
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC NameN-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc1
InChIInChI=1S/C22H26N6O/c1-17(29)25-14-18-4-5-21(26-15-18)27-10-6-20(7-11-27)22-24-9-12-28(22)16-19-3-2-8-23-13-19/h2-5,8-9,12-13,15,20H,6-7,10-11,14,16H2,1H3,(H,25,29)
InChIKeyZCYFDLWVLHVVRJ-UHFFFAOYSA-N
XLogP2.74
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dimethyl-4-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine
CID 70721028
N-[[6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide
CID 97200001
(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72870005
2-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyrimidin-4-amine
CID 72933428
(2-ethyl-4-pyridinyl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855314
N-phenyl-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 70760109
(2R)-2-methyl-1-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 97276713
6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 72852375
N-[[5-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazin-2-yl]methyl]acetamide
CID 110095583
2-(2-ethylimidazol-1-yl)-1-[(3R)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97208620
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
N-[[6-[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-3-pyridinyl]methyl]acetamide
CID 164697674

Frequently Asked Questions

What is the IUPAC name of N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide?
The IUPAC name of N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide (CID 72852570) is N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide?
The canonical SMILES for N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide is CC(=O)NCc1ccc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc1.
What is the InChIKey of N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide?
The InChIKey is ZCYFDLWVLHVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-17(29)25-14-18-4-5-21(26-15-18)27-10-6-20(7-11-27)22-24-9-12-28(22)16-19-3-2-8-23-13-19/h2-5,8-9,12-13,15,20H,6-7,10-11,14,16H2,1H3,(H,25,29).
What are the key properties of N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide?
N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 72852570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).