N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide

C15H25N3O — CID 81404259

IUPACN-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCCC(CC)NC(=O)C(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C15H25N3O/c1-5-14(6-2)18-15(19)12(4)17-11(3)13-8-7-9-16-10-13/h7-12,14,17H,5-6H2,1-4H3,(H,18,19)/t11-,12?/m1/s1
InChIKeyKORIOSREEUTYIH-JHJMLUEUSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds7

About N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide

N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide (PubChem CID 81404259) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
PubChem CID81404259
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCCC(CC)NC(=O)C(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C15H25N3O/c1-5-14(6-2)18-15(19)12(4)17-11(3)13-8-7-9-16-10-13/h7-12,14,17H,5-6H2,1-4H3,(H,18,19)/t11-,12?/m1/s1
InChIKeyKORIOSREEUTYIH-JHJMLUEUSA-N
XLogP2.43
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404441
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
5-methyl-N-(1-pyridin-3-ylethyl)heptan-3-amine
CID 43203612
2-(aminomethyl)-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81405062
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
1-phenyl-N-(1-pyridin-3-ylethyl)butan-2-amine
CID 79007375
methyl 2-[[(1R)-1-pyridin-3-ylethyl]amino]butanoate
CID 115353559
N-pentan-3-yl-2-(2-pyridin-3-ylethylamino)propanamide
CID 60913079
2-amino-3-methyl-N-[(1S)-1-pyridin-3-ylethyl]pentanamide
CID 81405246
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The IUPAC name of N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide (CID 81404259) is N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide.
What is the SMILES notation for N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The canonical SMILES for N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide is CCC(CC)NC(=O)C(C)N[C@H](C)c1cccnc1.
What is the InChIKey of N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The InChIKey is KORIOSREEUTYIH-JHJMLUEUSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-14(6-2)18-15(19)12(4)17-11(3)13-8-7-9-16-10-13/h7-12,14,17H,5-6H2,1-4H3,(H,18,19)/t11-,12?/m1/s1.
What are the key properties of N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide has a molecular weight of 263.38 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide is sourced from PubChem (CID 81404259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).