(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide

C14H19N5O — CID 61179586

IUPAC(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
SMILESCc1nccn1-c1ncccc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H19N5O/c1-9(2)12(15)14(20)18-11-5-4-6-17-13(11)19-8-7-16-10(19)3/h4-9,12H,15H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyUQJCEOIWAJPQBK-LBPRGKRZSA-N
MW273.34 g/mol
LogP1.50
Rot. Bonds4

About (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide

(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide (PubChem CID 61179586) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
PubChem CID61179586
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
SMILESCc1nccn1-c1ncccc1NC(=O)[C@@H](N)C(C)C
InChIInChI=1S/C14H19N5O/c1-9(2)12(15)14(20)18-11-5-4-6-17-13(11)19-8-7-16-10(19)3/h4-9,12H,15H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyUQJCEOIWAJPQBK-LBPRGKRZSA-N
XLogP1.50
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
(2S)-2-amino-3-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)butanamide
CID 61180497
(2R)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-2-(2-methylpropoxy)propanamide
CID 94821236
(2R)-2-amino-3-methyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 79011469
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
2-amino-2-cyclopropyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 60928315

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide (CID 61179586) is (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide is Cc1nccn1-c1ncccc1NC(=O)[C@@H](N)C(C)C.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
The InChIKey is UQJCEOIWAJPQBK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)12(15)14(20)18-11-5-4-6-17-13(11)19-8-7-16-10(19)3/h4-9,12H,15H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide has a molecular weight of 273.34 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 61179586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).