N-(5-amino-2-pyridinyl)cycloheptanecarboxamide

C13H19N3O — CID 62586115

IUPACN-(5-amino-2-pyridinyl)cycloheptanecarboxamide
SMILESNc1ccc(NC(=O)C2CCCCCC2)nc1
InChIInChI=1S/C13H19N3O/c14-11-7-8-12(15-9-11)16-13(17)10-5-3-1-2-4-6-10/h7-10H,1-6,14H2,(H,15,16,17)
InChIKeyYZXVHGYCRAFGOB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.57
Rot. Bonds2

About N-(5-amino-2-pyridinyl)cycloheptanecarboxamide

N-(5-amino-2-pyridinyl)cycloheptanecarboxamide (PubChem CID 62586115) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)cycloheptanecarboxamide
PubChem CID62586115
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(5-amino-2-pyridinyl)cycloheptanecarboxamide
SMILESNc1ccc(NC(=O)C2CCCCCC2)nc1
InChIInChI=1S/C13H19N3O/c14-11-7-8-12(15-9-11)16-13(17)10-5-3-1-2-4-6-10/h7-10H,1-6,14H2,(H,15,16,17)
InChIKeyYZXVHGYCRAFGOB-UHFFFAOYSA-N
XLogP2.57
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-iodo-2-pyridinyl)cyclooctanecarboxamide
CID 65098737
N-(5-iodo-2-pyridinyl)cyclohexanecarboxamide
CID 65098987
6-(cyclopentanecarbonylamino)pyridine-3-carboxylic acid
CID 22099684
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-[6-(cyclopentylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113009854
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-(5-amino-2-pyridinyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 61364724
N-[5-(4-chloroanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113033361
N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
N-[6-(butanoylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 1452761
N-(4-amino-2-hydroxyphenyl)cyclohexanecarboxamide
CID 53338609
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113035496

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-pyridinyl)cycloheptanecarboxamide?
The IUPAC name of N-(5-amino-2-pyridinyl)cycloheptanecarboxamide (CID 62586115) is N-(5-amino-2-pyridinyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)cycloheptanecarboxamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)cycloheptanecarboxamide is Nc1ccc(NC(=O)C2CCCCCC2)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)cycloheptanecarboxamide?
The InChIKey is YZXVHGYCRAFGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-11-7-8-12(15-9-11)16-13(17)10-5-3-1-2-4-6-10/h7-10H,1-6,14H2,(H,15,16,17).
What are the key properties of N-(5-amino-2-pyridinyl)cycloheptanecarboxamide?
N-(5-amino-2-pyridinyl)cycloheptanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)cycloheptanecarboxamide is sourced from PubChem (CID 62586115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).