(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide

C16H28N4O — CID 61162699

IUPAC(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCN(C)C)Cc1cccnc1
InChIInChI=1S/C16H28N4O/c1-5-13(2)15(17)16(21)20(10-9-19(3)4)12-14-7-6-8-18-11-14/h6-8,11,13,15H,5,9-10,12,17H2,1-4H3/t13-,15-/m0/s1
InChIKeyKNRDAOTYWLBLDV-ZFWWWQNUSA-N
MW292.43 g/mol
LogP1.35
Rot. Bonds8

About (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide

(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 61162699) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID61162699
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)N(CCN(C)C)Cc1cccnc1
InChIInChI=1S/C16H28N4O/c1-5-13(2)15(17)16(21)20(10-9-19(3)4)12-14-7-6-8-18-11-14/h6-8,11,13,15H,5,9-10,12,17H2,1-4H3/t13-,15-/m0/s1
InChIKeyKNRDAOTYWLBLDV-ZFWWWQNUSA-N
XLogP1.35
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-3-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 43185872
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
3-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 62670710
2-bromo-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 107904634
(2S)-2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)pentanamide
CID 61174279
3-amino-4-[2-(dimethylamino)ethyl-(pyridin-3-ylmethyl)amino]-4-oxobutanoic acid
CID 64896517
N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)propanamide
CID 61243414
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)pentanamide
CID 81083766
(2S,3S)-2-amino-N-benzyl-N-(2-hydroxyethyl)-3-methylpentanamide
CID 61164685
2-amino-N-benzyl-N-ethyl-3-methylpentanamide;hydrochloride
CID 119674320
tert-butyl N-[2-(dimethylamino)ethyl]-N-(pyridin-3-ylmethyl)carbamate
CID 63788521
(2S)-2-amino-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 79024967

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide (CID 61162699) is (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)N(CCN(C)C)Cc1cccnc1.
What is the InChIKey of (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is KNRDAOTYWLBLDV-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-13(2)15(17)16(21)20(10-9-19(3)4)12-14-7-6-8-18-11-14/h6-8,11,13,15H,5,9-10,12,17H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide?
(2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide has a molecular weight of 292.43 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 61162699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).