N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide

C15H23N3O2 — CID 115306432

IUPACN-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccncc1O
InChIInChI=1S/C15H23N3O2/c19-14-11-16-8-7-13(14)15(20)18-10-9-17-12-5-3-1-2-4-6-12/h7-8,11-12,17,19H,1-6,9-10H2,(H,18,20)
InChIKeyKGSGSTJBCFAFGS-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide

N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 115306432) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
PubChem CID115306432
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCNC1CCCCCC1)c1ccncc1O
InChIInChI=1S/C15H23N3O2/c19-14-11-16-8-7-13(14)15(20)18-10-9-17-12-5-3-1-2-4-6-12/h7-8,11-12,17,19H,1-6,9-10H2,(H,18,20)
InChIKeyKGSGSTJBCFAFGS-UHFFFAOYSA-N
XLogP1.83
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
N-[2-(cycloheptylamino)ethyl]-5-hydroxypyridine-3-carboxamide
CID 115306498
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
N-[2-(cycloheptylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 115306447

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide (CID 115306432) is N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide is O=C(NCCNC1CCCCCC1)c1ccncc1O.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is KGSGSTJBCFAFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-14-11-16-8-7-13(14)15(20)18-10-9-17-12-5-3-1-2-4-6-12/h7-8,11-12,17,19H,1-6,9-10H2,(H,18,20).
What are the key properties of N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 115306432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).