4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide

C14H21N3O2 — CID 112517169

IUPAC4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide
SMILESNCC(CC(=O)NCC1CCCO1)c1ccncc1
InChIInChI=1S/C14H21N3O2/c15-9-12(11-3-5-16-6-4-11)8-14(18)17-10-13-2-1-7-19-13/h3-6,12-13H,1-2,7-10,15H2,(H,17,18)
InChIKeyMLZIDXUKKQHABQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.81
Rot. Bonds6

About 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide

4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide (PubChem CID 112517169) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide
PubChem CID112517169
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide
SMILESNCC(CC(=O)NCC1CCCO1)c1ccncc1
InChIInChI=1S/C14H21N3O2/c15-9-12(11-3-5-16-6-4-11)8-14(18)17-10-13-2-1-7-19-13/h3-6,12-13H,1-2,7-10,15H2,(H,17,18)
InChIKeyMLZIDXUKKQHABQ-UHFFFAOYSA-N
XLogP0.81
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] pyridine-4-carboxylate
CID 7783951
(3R)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122236
(3S)-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylbutanamide
CID 1122235
N-[[(2R)-oxolan-2-yl]methyl]-N'-pyridin-4-yloxamide
CID 41453086
1-[[(2S)-oxolan-2-yl]methyl]-3-[(1R)-1-pyridin-4-ylethyl]thiourea
CID 970172
3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 3509797
3-(4-chlorophenyl)-4-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 110297555
3-cyclopropyl-3-(4-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110297316
N-(oxolan-2-ylmethyl)-2-phenyl-3-pyridin-4-ylpropanamide
CID 110407872
2-[2-(aminomethyl)phenyl]-N-(oxolan-2-ylmethyl)acetamide
CID 81318520
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
1-[[(2S)-oxolan-2-yl]methyl]-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232926

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide?
The IUPAC name of 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide (CID 112517169) is 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide.
What is the SMILES notation for 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide?
The canonical SMILES for 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide is NCC(CC(=O)NCC1CCCO1)c1ccncc1.
What is the InChIKey of 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide?
The InChIKey is MLZIDXUKKQHABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-9-12(11-3-5-16-6-4-11)8-14(18)17-10-13-2-1-7-19-13/h3-6,12-13H,1-2,7-10,15H2,(H,17,18).
What are the key properties of 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide?
4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide has a molecular weight of 263.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(oxolan-2-ylmethyl)-3-pyridin-4-ylbutanamide is sourced from PubChem (CID 112517169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).