N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide

C22H34N4O2 — CID 50842318

IUPACN-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1
InChIInChI=1S/C22H34N4O2/c1-16(2)14-21(27)24-19-8-9-20(23-15-19)26-12-10-17(11-13-26)22(28)25-18-6-4-3-5-7-18/h8-9,15-18H,3-7,10-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXQKYPYKRHHCRQR-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.73
Rot. Bonds6

About N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide

N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 50842318) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID50842318
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1
InChIInChI=1S/C22H34N4O2/c1-16(2)14-21(27)24-19-8-9-20(23-15-19)26-12-10-17(11-13-26)22(28)25-18-6-4-3-5-7-18/h8-9,15-18H,3-7,10-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyXQKYPYKRHHCRQR-UHFFFAOYSA-N
XLogP3.73
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(butanoylamino)-2-pyridinyl]-N-cyclopentylpiperidine-4-carboxamide
CID 50842589
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
1-[5-(butanoylamino)-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 50842295
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
3-(cyclohexylcarbamoylamino)-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 16622915
N-cyclopentyl-1-[5-(cyclopropanecarbonylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 50842519
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
CID 119871177
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide (CID 50842318) is N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide is CC(C)CC(=O)Nc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nc1.
What is the InChIKey of N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is XQKYPYKRHHCRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-16(2)14-21(27)24-19-8-9-20(23-15-19)26-12-10-17(11-13-26)22(28)25-18-6-4-3-5-7-18/h8-9,15-18H,3-7,10-14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide?
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 50842318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).