N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide

C20H32N4O — CID 56899547

IUPACN-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCCN1CCN(c2ccnc(C(=O)N(C)C3CCCCC3)c2)CC1
InChIInChI=1S/C20H32N4O/c1-3-11-23-12-14-24(15-13-23)18-9-10-21-19(16-18)20(25)22(2)17-7-5-4-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3
InChIKeyUBPXVCAZWWMMDH-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.02
Rot. Bonds5

About N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide

N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 56899547) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID56899547
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCCN1CCN(c2ccnc(C(=O)N(C)C3CCCCC3)c2)CC1
InChIInChI=1S/C20H32N4O/c1-3-11-23-12-14-24(15-13-23)18-9-10-21-19(16-18)20(25)22(2)17-7-5-4-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3
InChIKeyUBPXVCAZWWMMDH-UHFFFAOYSA-N
XLogP3.02
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylpyridine-2-carboxamide
CID 56912622
N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846829
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
4-[cyclohexyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 112700598
4-(4-acetylpiperazin-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109209169
2-chloro-N-methyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 61051848
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
1-[2-(dimethylcarbamoyl)-4-pyridinyl]piperidine-4-carboxylic acid
CID 43395822
N-cyclohexyl-N-methyl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574966
N-methyl-4-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 55042558

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide (CID 56899547) is N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide is CCCN1CCN(c2ccnc(C(=O)N(C)C3CCCCC3)c2)CC1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is UBPXVCAZWWMMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-11-23-12-14-24(15-13-23)18-9-10-21-19(16-18)20(25)22(2)17-7-5-4-6-8-17/h9-10,16-17H,3-8,11-15H2,1-2H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide?
N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(4-propylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 56899547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).