N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

C17H27N5O — CID 119478490

IUPACN-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3CCC(N)CC3)ccn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)16-12-13(6-7-19-16)17(23)20-15-4-2-14(18)3-5-15/h6-7,12,14-15H,2-5,8-11,18H2,1H3,(H,20,23)
InChIKeyJUETWVRMHGKUDR-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.83
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide

N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 119478490) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID119478490
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCN1CCN(c2cc(C(=O)NC3CCC(N)CC3)ccn2)CC1
InChIInChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)16-12-13(6-7-19-16)17(23)20-15-4-2-14(18)3-5-15/h6-7,12,14-15H,2-5,8-11,18H2,1H3,(H,20,23)
InChIKeyJUETWVRMHGKUDR-UHFFFAOYSA-N
XLogP0.83
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 119453711
2-(4-methylpiperazin-1-yl)-N-piperidin-3-ylpyridine-4-carboxamide
CID 119428584
2-(4-methylpiperazin-1-yl)-N-[(3R)-oxan-3-yl]pyridine-4-carboxamide
CID 96526874
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
N-(1-amino-2-methylpropan-2-yl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119524654
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
2-bromo-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 103752018
N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)pyridine-4-carboxamide
CID 119464005
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
CID 72916898

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide (CID 119478490) is N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is CN1CCN(c2cc(C(=O)NC3CCC(N)CC3)ccn2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is JUETWVRMHGKUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21-8-10-22(11-9-21)16-12-13(6-7-19-16)17(23)20-15-4-2-14(18)3-5-15/h6-7,12,14-15H,2-5,8-11,18H2,1H3,(H,20,23).
What are the key properties of N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide?
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 119478490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).