(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide

C12H16ClN3O — CID 112735488

IUPAC(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
SMILESCc1cc(Cl)ncc1NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C12H16ClN3O/c1-7-4-11(13)15-6-10(7)16-12(17)9(14)5-8-2-3-8/h4,6,8-9H,2-3,5,14H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyCDMHKZGDLXQKQH-VIFPVBQESA-N
MW253.73 g/mol
LogP2.11
Rot. Bonds4

About (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide

(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide (PubChem CID 112735488) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
PubChem CID112735488
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide
SMILESCc1cc(Cl)ncc1NC(=O)[C@@H](N)CC1CC1
InChIInChI=1S/C12H16ClN3O/c1-7-4-11(13)15-6-10(7)16-12(17)9(14)5-8-2-3-8/h4,6,8-9H,2-3,5,14H2,1H3,(H,16,17)/t9-/m0/s1
InChIKeyCDMHKZGDLXQKQH-VIFPVBQESA-N
XLogP2.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide?
The IUPAC name of (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide (CID 112735488) is (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide is Cc1cc(Cl)ncc1NC(=O)[C@@H](N)CC1CC1.
What is the InChIKey of (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide?
The InChIKey is CDMHKZGDLXQKQH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-7-4-11(13)15-6-10(7)16-12(17)9(14)5-8-2-3-8/h4,6,8-9H,2-3,5,14H2,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide?
(2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide has a molecular weight of 253.73 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-chloro-4-methyl-3-pyridinyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 112735488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).