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

C12H16N2O3 — CID 103762349

IUPACN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCOCC1CC1)c1ccncc1O
InChIInChI=1S/C12H16N2O3/c15-11-7-13-4-3-10(11)12(16)14-5-6-17-8-9-1-2-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,14,16)
InChIKeyRUAHSCWBGLLRGO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.94
Rot. Bonds6

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

N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 103762349) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
PubChem CID103762349
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC NameN-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCOCC1CC1)c1ccncc1O
InChIInChI=1S/C12H16N2O3/c15-11-7-13-4-3-10(11)12(16)14-5-6-17-8-9-1-2-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,14,16)
InChIKeyRUAHSCWBGLLRGO-UHFFFAOYSA-N
XLogP0.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.94
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-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-4-methoxybenzamide
CID 56783961
N-[2-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
4-chloro-N-[3-(cyclopropylmethoxy)propyl]-2-hydroxybenzamide
CID 103606116
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
6-chloro-N-[2-(cyclopropylmethoxy)ethyl]pyrazine-2-carboxamide
CID 106551316

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide (CID 103762349) is N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide is O=C(NCCOCC1CC1)c1ccncc1O.
What is the InChIKey of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is RUAHSCWBGLLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-11-7-13-4-3-10(11)12(16)14-5-6-17-8-9-1-2-9/h3-4,7,9,15H,1-2,5-6,8H2,(H,14,16).
What are the key properties of N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide?
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 103762349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).