N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide

C13H18N2O3 — CID 103741684

IUPACN-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccncc1O
InChIInChI=1S/C13H18N2O3/c16-12-8-14-6-4-11(12)13(17)15-5-1-7-18-9-10-2-3-10/h4,6,8,10,16H,1-3,5,7,9H2,(H,15,17)
InChIKeyLJZLKEDYCFIVSJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.33
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 103741684) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
PubChem CID103741684
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCCOCC1CC1)c1ccncc1O
InChIInChI=1S/C13H18N2O3/c16-12-8-14-6-4-11(12)13(17)15-5-1-7-18-9-10-2-3-10/h4,6,8,10,16H,1-3,5,7,9H2,(H,15,17)
InChIKeyLJZLKEDYCFIVSJ-UHFFFAOYSA-N
XLogP1.33
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.33
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-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
N-[3-(cyclopropylmethoxy)propyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 47078276
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-[3-(cyclopropylmethoxy)propyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 31850217
2-chloro-N-[3-(cyclopropylmethoxy)propyl]-3-nitropyridine-4-carboxamide
CID 64865933

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide (CID 103741684) is N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide is O=C(NCCCOCC1CC1)c1ccncc1O.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is LJZLKEDYCFIVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12-8-14-6-4-11(12)13(17)15-5-1-7-18-9-10-2-3-10/h4,6,8,10,16H,1-3,5,7,9H2,(H,15,17).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 103741684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).