1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea

C19H17N5O — CID 154725442

IUPAC1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea
SMILES[H]/N=C(\N)c1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C19H17N5O/c20-18(21)14-6-4-10-17(12-14)24(16-8-2-1-3-9-16)19(25)23-15-7-5-11-22-13-15/h1-13H,(H3,20,21)(H,23,25)
InChIKeyYDQWLJIJYLSQRN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.74
Rot. Bonds4

About 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea

1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea (PubChem CID 154725442) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea
PubChem CID154725442
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea
SMILES[H]/N=C(\N)c1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C19H17N5O/c20-18(21)14-6-4-10-17(12-14)24(16-8-2-1-3-9-16)19(25)23-15-7-5-11-22-13-15/h1-13H,(H3,20,21)(H,23,25)
InChIKeyYDQWLJIJYLSQRN-UHFFFAOYSA-N
XLogP3.74
TPSA95.10 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
3-phenyl-N-pyridin-3-ylbenzamide
CID 110723041
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
1-anilino-3-pyridin-3-ylurea
CID 47127655
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
1-[4-[3-(3-carbamimidoylphenoxy)propoxy]phenyl]-3-phenylurea
CID 100961082
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
CID 62971035
1-phenyl-3-pyridin-4-yl-1-pyrimidin-5-ylurea
CID 68639358
2-chloro-5-[[3-(dimethylamino)benzoyl]amino]-N-pyridin-3-ylbenzamide
CID 44561878
4-(3-carbamimidoyl-N-methylanilino)-N-methylpyridine-2-carboxamide
CID 62969464

Frequently Asked Questions

What is the IUPAC name of 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea?
The IUPAC name of 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea (CID 154725442) is 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea is [H]/N=C(\N)c1cccc(N(C(=O)Nc2cccnc2)c2ccccc2)c1.
What is the InChIKey of 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea?
The InChIKey is YDQWLJIJYLSQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-18(21)14-6-4-10-17(12-14)24(16-8-2-1-3-9-16)19(25)23-15-7-5-11-22-13-15/h1-13H,(H3,20,21)(H,23,25).
What are the key properties of 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea?
1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea has a molecular weight of 331.38 g/mol, XLogP of 3.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carbamimidoylphenyl)-1-phenyl-3-pyridin-3-ylurea is sourced from PubChem (CID 154725442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).