6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

C22H29N5O2 — CID 45214399

IUPAC6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESCC(=O)NCC1CCCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)C1
InChIInChI=1S/C22H29N5O2/c1-17(28)25-14-18-6-5-13-27(16-18)21-10-9-19(15-26-21)22(29)24-12-4-8-20-7-2-3-11-23-20/h2-3,7,9-11,15,18H,4-6,8,12-14,16H2,1H3,(H,24,29)(H,25,28)
InChIKeyICXFPUZRILGPJL-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.19
Rot. Bonds8

About 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 45214399) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
PubChem CID45214399
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESCC(=O)NCC1CCCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)C1
InChIInChI=1S/C22H29N5O2/c1-17(28)25-14-18-6-5-13-27(16-18)21-10-9-19(15-26-21)22(29)24-12-4-8-20-7-2-3-11-23-20/h2-3,7,9-11,15,18H,4-6,8,12-14,16H2,1H3,(H,24,29)(H,25,28)
InChIKeyICXFPUZRILGPJL-UHFFFAOYSA-N
XLogP2.19
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 39898275
6-cyano-N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 91844279
6-cyano-N-[[(3S)-1-pyridin-2-ylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 124752431
6-[(3R)-3-(aminomethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 95226323
6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 45221796
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
N-(cyclohexylmethyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 43069291
N-[(1-pyridin-2-ylpiperidin-3-yl)methyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 91789394
3-(methanesulfonamido)-N-[[(3R)-1-pyridin-2-ylpiperidin-3-yl]methyl]propanamide
CID 124749653
N-hexyl-6-(2-phenylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 44773304
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810

Frequently Asked Questions

What is the IUPAC name of 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (CID 45214399) is 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is CC(=O)NCC1CCCN(c2ccc(C(=O)NCCCc3ccccn3)cn2)C1.
What is the InChIKey of 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is ICXFPUZRILGPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-17(28)25-14-18-6-5-13-27(16-18)21-10-9-19(15-26-21)22(29)24-12-4-8-20-7-2-3-11-23-20/h2-3,7,9-11,15,18H,4-6,8,12-14,16H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(acetamidomethyl)piperidin-1-yl]-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 45214399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).