1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea

C19H16N6O — CID 154726258

IUPAC1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea
SMILESN#Cc1ccc(NCc2cccc(NC(=O)Nc3cccnc3)c2)nc1
InChIInChI=1S/C19H16N6O/c20-10-15-6-7-18(23-12-15)22-11-14-3-1-4-16(9-14)24-19(26)25-17-5-2-8-21-13-17/h1-9,12-13H,11H2,(H,22,23)(H2,24,25,26)
InChIKeyZNSJVQUXXSKXAS-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.60
Rot. Bonds5

About 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea

1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea (PubChem CID 154726258) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea
PubChem CID154726258
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea
SMILESN#Cc1ccc(NCc2cccc(NC(=O)Nc3cccnc3)c2)nc1
InChIInChI=1S/C19H16N6O/c20-10-15-6-7-18(23-12-15)22-11-14-3-1-4-16(9-14)24-19(26)25-17-5-2-8-21-13-17/h1-9,12-13H,11H2,(H,22,23)(H2,24,25,26)
InChIKeyZNSJVQUXXSKXAS-UHFFFAOYSA-N
XLogP3.60
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
1-phenyl-3-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]urea
CID 113012942
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625
1-[5-[(5-cyano-2-pyridinyl)amino]-3-pyridinyl]-3-phenylurea
CID 154724914
N-(3-cyanophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235482
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
1-(3-cyanophenyl)-3-[3-(methylaminomethyl)phenyl]urea
CID 43602485
2-(4-cyanophenoxy)-N-pyridin-3-ylacetamide
CID 24707250
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea?
The IUPAC name of 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea (CID 154726258) is 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea.
What is the SMILES notation for 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea?
The canonical SMILES for 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea is N#Cc1ccc(NCc2cccc(NC(=O)Nc3cccnc3)c2)nc1.
What is the InChIKey of 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea?
The InChIKey is ZNSJVQUXXSKXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c20-10-15-6-7-18(23-12-15)22-11-14-3-1-4-16(9-14)24-19(26)25-17-5-2-8-21-13-17/h1-9,12-13H,11H2,(H,22,23)(H2,24,25,26).
What are the key properties of 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea?
1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea has a molecular weight of 344.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(5-cyano-2-pyridinyl)amino]methyl]phenyl]-3-pyridin-3-ylurea is sourced from PubChem (CID 154726258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).