N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide

C23H33N3O3 — CID 110264271

IUPACN-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1ccc(C2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1
InChIInChI=1S/C23H33N3O3/c27-21(13-23(29)10-2-1-3-11-23)26-12-4-5-19(16-26)20-9-8-18(15-24-20)22(28)25-14-17-6-7-17/h8-9,15,17,19,29H,1-7,10-14,16H2,(H,25,28)
InChIKeyHKLCSHFAIKYPSQ-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.01
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 110264271) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
PubChem CID110264271
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NCC1CC1)c1ccc(C2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1
InChIInChI=1S/C23H33N3O3/c27-21(13-23(29)10-2-1-3-11-23)26-12-4-5-19(16-26)20-9-8-18(15-24-20)22(28)25-14-17-6-7-17/h8-9,15,17,19,29H,1-7,10-14,16H2,(H,25,28)
InChIKeyHKLCSHFAIKYPSQ-UHFFFAOYSA-N
XLogP3.01
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
CID 92621905
N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 92621550
N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264273
N-(cyclopropylmethyl)-6-[(3R)-1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621900
N-(cyclopropylmethyl)-6-[1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264282
N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 95834318
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 95834350
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
2-(1-hydroxycyclohexyl)-1-[(3S)-3-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]ethanone
CID 124997525
N-(4-fluorophenyl)-6-[1-[2-(methanesulfonamido)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264257
2-(2-fluorophenoxy)-1-[3-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110264227

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide (CID 110264271) is N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide is O=C(NCC1CC1)c1ccc(C2CCCN(C(=O)CC3(O)CCCCC3)C2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is HKLCSHFAIKYPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c27-21(13-23(29)10-2-1-3-11-23)26-12-4-5-19(16-26)20-9-8-18(15-24-20)22(28)25-14-17-6-7-17/h8-9,15,17,19,29H,1-7,10-14,16H2,(H,25,28).
What are the key properties of N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110264271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).