(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide

C15H25N3O — CID 61174279

IUPAC(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-5-12(4)14(16)15(19)18(11(2)3)10-13-7-6-8-17-9-13/h6-9,11-12,14H,5,10,16H2,1-4H3/t12?,14-/m0/s1
InChIKeyKMNBGMFAZDAHFM-PYMCNQPYSA-N
MW263.38 g/mol
LogP2.19
Rot. Bonds6

About (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide

(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 61174279) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID61174279
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCCC(C)[C@H](N)C(=O)N(Cc1cccnc1)C(C)C
InChIInChI=1S/C15H25N3O/c1-5-12(4)14(16)15(19)18(11(2)3)10-13-7-6-8-17-9-13/h6-9,11-12,14H,5,10,16H2,1-4H3/t12?,14-/m0/s1
InChIKeyKMNBGMFAZDAHFM-PYMCNQPYSA-N
XLogP2.19
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61162699
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
2-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)hexanamide
CID 54873824
2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
2-(methylamino)-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 62636984
3-(aminomethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 81087098
3-amino-2,2-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 113307589
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
(E)-4-oxo-4-[propan-2-yl(pyridin-3-ylmethyl)amino]but-2-enoic acid
CID 39350700

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide (CID 61174279) is (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide is CCC(C)[C@H](N)C(=O)N(Cc1cccnc1)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is KMNBGMFAZDAHFM-PYMCNQPYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-12(4)14(16)15(19)18(11(2)3)10-13-7-6-8-17-9-13/h6-9,11-12,14H,5,10,16H2,1-4H3/t12?,14-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide?
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 263.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 61174279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).