2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine

C18H22ClN3 — CID 167080790

IUPAC2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine
SMILES[H]/N=C(/c1cnc(Cl)cc1N)C(CC)CCCc1ccccc1
InChIInChI=1S/C18H22ClN3/c1-2-14(10-6-9-13-7-4-3-5-8-13)18(21)15-12-22-17(19)11-16(15)20/h3-5,7-8,11-12,14,21H,2,6,9-10H2,1H3,(H2,20,22)/b21-18+
InChIKeyPFHISPZBPGNAEK-DYTRJAOYSA-N
MW315.85 g/mol
LogP4.73
Rot. Bonds7

About 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine

2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine (PubChem CID 167080790) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine
PubChem CID167080790
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine
SMILES[H]/N=C(/c1cnc(Cl)cc1N)C(CC)CCCc1ccccc1
InChIInChI=1S/C18H22ClN3/c1-2-14(10-6-9-13-7-4-3-5-8-13)18(21)15-12-22-17(19)11-16(15)20/h3-5,7-8,11-12,14,21H,2,6,9-10H2,1H3,(H2,20,22)/b21-18+
InChIKeyPFHISPZBPGNAEK-DYTRJAOYSA-N
XLogP4.73
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(6-phenylhexan-3-yl)pyrimidin-4-amine
CID 123608514
5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 54931106
1-(3,5-dichloro-2-pyridinyl)-4-phenylbutan-1-ol
CID 79781097
3-amino-2-(3-phenylpropylamino)benzoic acid
CID 115934219
2-chloro-4-(3-phenylpropyl)pyridine
CID 132575945
2-ethyl-4-phenylbutanoic acid;hydrochloride
CID 174946521
(2R)-2-amino-5-phenylpentan-1-ol
CID 20677771
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
2-(6-phenylhexan-3-yl)pyrimidin-4-amine
CID 123517058
2-(6-chloro-3-pyridinyl)-1-pyrimidin-2-ylbutan-1-imine
CID 174538934
1-chloro-7-phenylheptan-4-ol
CID 54140253
1-phenyloctan-4-amine
CID 79413314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine?
The IUPAC name of 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine (CID 167080790) is 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine?
The canonical SMILES for 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine is [H]/N=C(/c1cnc(Cl)cc1N)C(CC)CCCc1ccccc1.
What is the InChIKey of 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine?
The InChIKey is PFHISPZBPGNAEK-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-2-14(10-6-9-13-7-4-3-5-8-13)18(21)15-12-22-17(19)11-16(15)20/h3-5,7-8,11-12,14,21H,2,6,9-10H2,1H3,(H2,20,22)/b21-18+.
What are the key properties of 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine?
2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine has a molecular weight of 315.85 g/mol, XLogP of 4.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-ethyl-5-phenylpentanimidoyl)pyridin-4-amine is sourced from PubChem (CID 167080790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).