N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

C19H28N4O2 — CID 109104440

IUPACN-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)NC3CCCCCC3)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-8-10-23(11-9-22)19(25)16-12-15(13-20-14-16)18(24)21-17-6-4-2-3-5-7-17/h12-14,17H,2-11H2,1H3,(H,21,24)
InChIKeyXUILEKKXASENHS-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.92
Rot. Bonds3

About N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104440) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104440
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCN1CCN(C(=O)c2cncc(C(=O)NC3CCCCCC3)c2)CC1
InChIInChI=1S/C19H28N4O2/c1-22-8-10-23(11-9-22)19(25)16-12-15(13-20-14-16)18(24)21-17-6-4-2-3-5-7-17/h12-14,17H,2-11H2,1H3,(H,21,24)
InChIKeyXUILEKKXASENHS-UHFFFAOYSA-N
XLogP1.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102544
5-(azepane-1-carbonyl)-N-cyclopentylpyridine-3-carboxamide
CID 109102737
N-cyclohexyl-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102478
N-cyclohexyl-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102999
[5-(cycloheptylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230117
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527
N-cyclohexyl-4-(5-hydroxypyridine-3-carbonyl)piperazine-1-carboxamide
CID 138994284
N-(1,1-dioxothiolan-3-yl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102518
N-(2-methoxyethyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103395
5-N-tert-butyl-3-N-cycloheptylpyridine-3,5-dicarboxamide
CID 109106897
5-N-cyclohexyl-3-N-propylpyridine-3,5-dicarboxamide
CID 109101138

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104440) is N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is CN1CCN(C(=O)c2cncc(C(=O)NC3CCCCCC3)c2)CC1.
What is the InChIKey of N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is XUILEKKXASENHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-22-8-10-23(11-9-22)19(25)16-12-15(13-20-14-16)18(24)21-17-6-4-2-3-5-7-17/h12-14,17H,2-11H2,1H3,(H,21,24).
What are the key properties of N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).