N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide

C15H22N4O3 — CID 125145459

IUPACN-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCCCO1
InChIInChI=1S/C15H22N4O3/c20-14(12-4-3-6-16-10-12)17-7-8-18-15(21)19-11-13-5-1-2-9-22-13/h3-4,6,10,13H,1-2,5,7-9,11H2,(H,17,20)(H2,18,19,21)/t13-/m0/s1
InChIKeyHZUBJUCKUZHWFQ-ZDUSSCGKSA-N
MW306.37 g/mol
LogP0.68
Rot. Bonds6

About N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide

N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide (PubChem CID 125145459) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
PubChem CID125145459
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCCCO1
InChIInChI=1S/C15H22N4O3/c20-14(12-4-3-6-16-10-12)17-7-8-18-15(21)19-11-13-5-1-2-9-22-13/h3-4,6,10,13H,1-2,5,7-9,11H2,(H,17,20)(H2,18,19,21)/t13-/m0/s1
InChIKeyHZUBJUCKUZHWFQ-ZDUSSCGKSA-N
XLogP0.68
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(oxolan-2-ylmethyl)-4-[2-(pyridin-3-ylamino)ethylcarbamoylamino]benzamide
CID 72875380
N-[2-(cyclopentylamino)ethyl]pyridine-3-carboxamide
CID 3267981
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
N-[2-[[N-ethyl-N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111138704
1-[[(2R)-oxolan-2-yl]methyl]-3-[(1-pyridin-3-ylpiperidin-4-yl)methyl]urea
CID 100678446
N-[2-[[5-[(2S)-oxolan-2-yl]thiophene-2-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97141444
N-cyclopentylpyridine-3-carboxamide
CID 805532
(oxetan-2-ylmethylamino) pyridine-3-carboxylate
CID 166709002
5-hydroxy-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 63860323
N-[3-(cyclopentanecarbonylamino)propyl]pyridine-3-carboxamide
CID 108926695
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide (CID 125145459) is N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1cccnc1)NC[C@@H]1CCCCO1.
What is the InChIKey of N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is HZUBJUCKUZHWFQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N4O3/c20-14(12-4-3-6-16-10-12)17-7-8-18-15(21)19-11-13-5-1-2-9-22-13/h3-4,6,10,13H,1-2,5,7-9,11H2,(H,17,20)(H2,18,19,21)/t13-/m0/s1.
What are the key properties of N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide?
N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-oxan-2-yl]methylcarbamoylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 125145459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).