(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide

C14H19N5O — CID 61180684

IUPAC(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C14H19N5O/c1-3-10(2)12(15)14(20)18-11-6-4-7-16-13(11)19-9-5-8-17-19/h4-10,12H,3,15H2,1-2H3,(H,18,20)/t10-,12-/m0/s1
InChIKeyLNCRYWLQYLXOJM-JQWIXIFHSA-N
MW273.34 g/mol
LogP1.58
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide

(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide (PubChem CID 61180684) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
PubChem CID61180684
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)Nc1cccnc1-n1cccn1
InChIInChI=1S/C14H19N5O/c1-3-10(2)12(15)14(20)18-11-6-4-7-16-13(11)19-9-5-8-17-19/h4-10,12H,3,15H2,1-2H3,(H,18,20)/t10-,12-/m0/s1
InChIKeyLNCRYWLQYLXOJM-JQWIXIFHSA-N
XLogP1.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-ylphenyl)pentanamide
CID 61178018
2-amino-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714225
2-amino-4-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide
CID 43714222
2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)pentanamide
CID 43700405
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
4-amino-5-oxo-5-[(2-pyrazol-1-yl-3-pyridinyl)amino]pentanoic acid
CID 64889290
2-phenoxy-N-(2-pyrazol-1-yl-3-pyridinyl)propanamide
CID 43063138
(2S,3S)-2-amino-3-methyl-N-(4-pyrazol-1-ylphenyl)pentanamide
CID 61180755
(2S,3S)-2-amino-3-methyl-N-[2-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61179643
2-amino-3-methyl-N-(2-propan-2-yloxy-3-pyridinyl)pentanamide
CID 61379490
(2S)-2-amino-N-[2-(dimethylamino)-3-pyridinyl]-3-methylpentanamide
CID 61173712

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide (CID 61180684) is (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide is CC[C@H](C)[C@H](N)C(=O)Nc1cccnc1-n1cccn1.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
The InChIKey is LNCRYWLQYLXOJM-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-10(2)12(15)14(20)18-11-6-4-7-16-13(11)19-9-5-8-17-19/h4-10,12H,3,15H2,1-2H3,(H,18,20)/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide?
(2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide has a molecular weight of 273.34 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pentanamide is sourced from PubChem (CID 61180684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).