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

C15H25N3O — CID 81404441

IUPACN-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C15H25N3O/c1-5-7-11(2)17-15(19)13(4)18-12(3)14-8-6-9-16-10-14/h6,8-13,18H,5,7H2,1-4H3,(H,17,19)/t11?,12-,13?/m1/s1
InChIKeyCVFKRAZTRSKHLX-OTTFEQOBSA-N
MW263.38 g/mol
LogP2.43
Rot. Bonds7

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

N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide (PubChem CID 81404441) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
PubChem CID81404441
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
SMILESCCCC(C)NC(=O)C(C)N[C@H](C)c1cccnc1
InChIInChI=1S/C15H25N3O/c1-5-7-11(2)17-15(19)13(4)18-12(3)14-8-6-9-16-10-14/h6,8-13,18H,5,7H2,1-4H3,(H,17,19)/t11?,12-,13?/m1/s1
InChIKeyCVFKRAZTRSKHLX-OTTFEQOBSA-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-pentan-3-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404259
N-propan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404015
N-pentan-2-yl-2-[[(1R)-1-phenylethyl]amino]propanamide
CID 78948251
N-methyl-2-[[(1S)-1-pyridin-3-ylethyl]amino]propanamide
CID 81404603
2-amino-N-(1-pyridin-3-ylethyl)pentanamide
CID 43650302
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-pentan-2-ylpropanamide
CID 81353387
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
N-(1-pyridin-3-ylethyl)heptan-2-amine
CID 43203632
1-phenyl-N-[(1R)-1-pyridin-3-ylethyl]butan-1-amine
CID 81406901
(2S)-2-amino-N-(1-pyridin-3-ylethyl)hexanamide
CID 103831911
(2R)-2-amino-N-[(1S)-1-pyridin-3-ylethyl]hexanamide
CID 93339984
1-ethylsulfonyl-N-[(1S)-1-pyridin-3-ylethyl]propan-2-amine
CID 113350765

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The IUPAC name of N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide (CID 81404441) is N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide.
What is the SMILES notation for N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The canonical SMILES for N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide is CCCC(C)NC(=O)C(C)N[C@H](C)c1cccnc1.
What is the InChIKey of N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
The InChIKey is CVFKRAZTRSKHLX-OTTFEQOBSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-7-11(2)17-15(19)13(4)18-12(3)14-8-6-9-16-10-14/h6,8-13,18H,5,7H2,1-4H3,(H,17,19)/t11?,12-,13?/m1/s1.
What are the key properties of N-pentan-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide?
N-pentan-2-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-2-yl-2-[[(1R)-1-pyridin-3-ylethyl]amino]propanamide is sourced from PubChem (CID 81404441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).