N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide

C17H27N3O — CID 106752285

IUPACN-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C2CCCCCC2)ccn1
InChIInChI=1S/C17H27N3O/c1-14-13-15(9-11-19-14)17(21)20(12-6-10-18)16-7-4-2-3-5-8-16/h9,11,13,16H,2-8,10,12,18H2,1H3
InChIKeyJOZCFHYMWONSDQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.90
Rot. Bonds5

About N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide

N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide (PubChem CID 106752285) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
PubChem CID106752285
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C2CCCCCC2)ccn1
InChIInChI=1S/C17H27N3O/c1-14-13-15(9-11-19-14)17(21)20(12-6-10-18)16-7-4-2-3-5-8-16/h9,11,13,16H,2-8,10,12,18H2,1H3
InChIKeyJOZCFHYMWONSDQ-UHFFFAOYSA-N
XLogP2.90
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(3-bromopropyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754316
N-(3-aminopropyl)-N-cycloheptylpyridazine-4-carboxamide
CID 104668877
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-cyclopentyl-2-methylpyridine-4-carboxamide
CID 106753961
N-(3-aminopropyl)-N-cyclopentyl-3,4-dihydroxybenzamide
CID 107727819
N-(3-aminopropyl)-N-cycloheptyl-4-hydroxybenzamide
CID 43136887
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(3-aminopropyl)-N-cyclohexylpyridine-3-carboxamide
CID 43319410
N-(3-aminopropyl)-N-cyclohexyl-3-methoxybenzamide
CID 43319405
N-(3-aminopropyl)-N-cycloheptylfuran-3-carboxamide
CID 43136891
N-(3-aminopropyl)-N-cyclopentyl-3-methylpyridine-2-carboxamide
CID 62338909
N-(3-aminopropyl)-N-cyclohexyl-2,6-dimethylpyridine-3-carboxamide
CID 62830761

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide (CID 106752285) is N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N(CCCN)C2CCCCCC2)ccn1.
What is the InChIKey of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide?
The InChIKey is JOZCFHYMWONSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14-13-15(9-11-19-14)17(21)20(12-6-10-18)16-7-4-2-3-5-8-16/h9,11,13,16H,2-8,10,12,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide?
N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cycloheptyl-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).