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

C12H15N3O3 — CID 113257034

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccncc1O
InChIInChI=1S/C12H15N3O3/c16-10-7-13-4-3-9(10)12(18)15-6-5-14-11(17)8-1-2-8/h3-4,7-8,16H,1-2,5-6H2,(H,14,17)(H,15,18)
InChIKeySKIZPBCEHWBSGA-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.04
Rot. Bonds5

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

N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 113257034) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
PubChem CID113257034
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CC1)c1ccncc1O
InChIInChI=1S/C12H15N3O3/c16-10-7-13-4-3-9(10)12(18)15-6-5-14-11(17)8-1-2-8/h3-4,7-8,16H,1-2,5-6H2,(H,14,17)(H,15,18)
InChIKeySKIZPBCEHWBSGA-UHFFFAOYSA-N
XLogP0.04
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.04
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-(cycloheptylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 115306432
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxypyridine-4-carboxamide
CID 103762349
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
N-[3-(cyclopropylmethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 103741684
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-[3-(2-bromoethoxy)propyl]-3-hydroxypyridine-4-carboxamide
CID 106307388
3-hydroxy-N-[2-(oxolan-2-yl)ethyl]pyridine-4-carboxamide
CID 80707090
3-hydroxy-N-(4-iodobutyl)pyridine-4-carboxamide
CID 106846051
3-hydroxy-N-(3-hydroxybutyl)pyridine-4-carboxamide
CID 81443117
3-hydroxy-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 104538186

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide (CID 113257034) is N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide is O=C(NCCNC(=O)C1CC1)c1ccncc1O.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is SKIZPBCEHWBSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-10-7-13-4-3-9(10)12(18)15-6-5-14-11(17)8-1-2-8/h3-4,7-8,16H,1-2,5-6H2,(H,14,17)(H,15,18).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 113257034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).