N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

C18H30N4O — CID 109229945

IUPACN-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H30N4O/c1-22(2)11-7-10-20-17-12-15(13-19-14-17)18(23)21-16-8-5-3-4-6-9-16/h12-14,16,20H,3-11H2,1-2H3,(H,21,23)
InChIKeyGKFWZQBPTZABBW-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.90
Rot. Bonds7

About N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (PubChem CID 109229945) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
PubChem CID109229945
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H30N4O/c1-22(2)11-7-10-20-17-12-15(13-19-14-17)18(23)21-16-8-5-3-4-6-9-16/h12-14,16,20H,3-11H2,1-2H3,(H,21,23)
InChIKeyGKFWZQBPTZABBW-UHFFFAOYSA-N
XLogP2.90
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cycloheptyl-5-(pentylamino)pyridine-3-carboxamide
CID 109239498
N-cyclopentyl-5-(2-methylpropylamino)pyridine-3-carboxamide
CID 109224923
N-cycloheptyl-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109207939
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229981
5-(cyclopentylamino)-N-cyclopropylpyridine-3-carboxamide
CID 109223558
N-cycloheptyl-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 102253634
N-cycloheptyl-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233439
N-cycloheptyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 102253633
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (CID 109229945) is N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is CN(C)CCCNc1cncc(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The InChIKey is GKFWZQBPTZABBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-22(2)11-7-10-20-17-12-15(13-19-14-17)18(23)21-16-8-5-3-4-6-9-16/h12-14,16,20H,3-11H2,1-2H3,(H,21,23).
What are the key properties of N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109229945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).