(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide

C15H15ClN4O — CID 5397493

IUPAC(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
SMILESC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C\c1ccccn1
InChIInChI=1S/C15H15ClN4O/c1-11(19-13-7-4-5-12(16)9-13)15(21)20-18-10-14-6-2-3-8-17-14/h2-11,19H,1H3,(H,20,21)/b18-10-/t11-/m0/s1
InChIKeyQAQNZUIRORMRCY-TZQXVGBESA-N
MW302.77 g/mol
LogP2.69
Rot. Bonds5

About (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide

(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide (PubChem CID 5397493) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
PubChem CID5397493
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
SMILESC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C\c1ccccn1
InChIInChI=1S/C15H15ClN4O/c1-11(19-13-7-4-5-12(16)9-13)15(21)20-18-10-14-6-2-3-8-17-14/h2-11,19H,1H3,(H,20,21)/b18-10-/t11-/m0/s1
InChIKeyQAQNZUIRORMRCY-TZQXVGBESA-N
XLogP2.69
TPSA66.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-chloroanilino)-N-[(Z)-naphthalen-2-ylmethylideneamino]propanamide
CID 5498491
2-(3-chloroanilino)-N-(naphthalen-2-ylmethylideneamino)propanamide
CID 3917683
2-(3-chloroanilino)-N-[(E)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 135719968
(2S)-2-(3-chloroanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]propanamide
CID 40571584
(2S)-2-(3-chloroanilino)-N-[(1,3-dimethylpyrazol-4-yl)methylideneamino]propanamide
CID 722446
(2S)-2-anilino-N-(3-chlorophenyl)propanamide
CID 7928382
(2R)-N-(3-chlorophenyl)-2-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]propanamide
CID 52783528
2-(4-chloroanilino)-N-(pyridin-4-ylmethylideneamino)propanamide
CID 5081987
2-(4-chloroanilino)-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135821532
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
(2R)-2-(4-chloroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]propanamide
CID 40516210
2-(3-chloroanilino)-N-[1-(4-methylphenyl)ethylideneamino]propanamide
CID 4654925

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The IUPAC name of (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide (CID 5397493) is (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The canonical SMILES for (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide is C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C\c1ccccn1.
What is the InChIKey of (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
The InChIKey is QAQNZUIRORMRCY-TZQXVGBESA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-11(19-13-7-4-5-12(16)9-13)15(21)20-18-10-14-6-2-3-8-17-14/h2-11,19H,1H3,(H,20,21)/b18-10-/t11-/m0/s1.
What are the key properties of (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide?
(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide has a molecular weight of 302.77 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide is sourced from PubChem (CID 5397493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).