3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide

C17H16ClN5O — CID 166581257

IUPAC3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide
SMILESCc1[nH]c(NC(=O)CCc2ccc(Cl)nc2)nc1-c1ccncc1
InChIInChI=1S/C17H16ClN5O/c1-11-16(13-6-8-19-9-7-13)23-17(21-11)22-15(24)5-3-12-2-4-14(18)20-10-12/h2,4,6-10H,3,5H2,1H3,(H2,21,22,23,24)
InChIKeyNBERTMLIOXBEQB-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.40
Rot. Bonds5

About 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide

3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide (PubChem CID 166581257) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide
PubChem CID166581257
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide
SMILESCc1[nH]c(NC(=O)CCc2ccc(Cl)nc2)nc1-c1ccncc1
InChIInChI=1S/C17H16ClN5O/c1-11-16(13-6-8-19-9-7-13)23-17(21-11)22-15(24)5-3-12-2-4-14(18)20-10-12/h2,4,6-10H,3,5H2,1H3,(H2,21,22,23,24)
InChIKeyNBERTMLIOXBEQB-UHFFFAOYSA-N
XLogP3.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloro-3-pyridinyl)-N-(4-ethyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 166581224
3-(6-chloro-3-pyridinyl)-N-(3-cyano-4-pyridin-4-yl-1H-pyrrol-2-yl)propanamide
CID 166581378
3-(3-chloro-4-methylphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60967807
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N-(4-methyl-1H-pyrazol-5-yl)-3-pyridin-4-ylpropanamide
CID 112691455
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
CID 30157880
N-(6-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 46480468
3-(2-chloro-1,3-thiazol-5-yl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
CID 169305288
3-(3-chloro-4-methoxyphenyl)-N-(1H-imidazol-2-yl)propanamide
CID 60966650
3-(6-chloro-3-pyridinyl)-1-(4-hydroxy-3-pyridin-4-yl-2,4,5,6-tetrahydropyrazolo[3,4-b]pyridin-7-yl)propan-1-one
CID 168678875
N-methyl-3-(2-pyridin-4-yl-1H-imidazol-5-yl)propanamide
CID 59698732
2-(carbamoylamino)-N-[1-[3-(6-chloro-3-pyridinyl)propanoylamino]propan-2-yl]butanamide
CID 166389909

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide?
The IUPAC name of 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide (CID 166581257) is 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide.
What is the SMILES notation for 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide?
The canonical SMILES for 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide is Cc1[nH]c(NC(=O)CCc2ccc(Cl)nc2)nc1-c1ccncc1.
What is the InChIKey of 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide?
The InChIKey is NBERTMLIOXBEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-16(13-6-8-19-9-7-13)23-17(21-11)22-15(24)5-3-12-2-4-14(18)20-10-12/h2,4,6-10H,3,5H2,1H3,(H2,21,22,23,24).
What are the key properties of 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide?
3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide has a molecular weight of 341.80 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-3-pyridinyl)-N-(5-methyl-4-pyridin-4-yl-1H-imidazol-2-yl)propanamide is sourced from PubChem (CID 166581257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).