1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea

C20H17N7O — CID 156770236

IUPAC1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea
SMILESO=C(Nc1cccnc1)Nc1ncc2ccc(NCc3cccnc3)cc2n1
InChIInChI=1S/C20H17N7O/c28-20(25-17-4-2-8-22-13-17)27-19-24-12-15-5-6-16(9-18(15)26-19)23-11-14-3-1-7-21-10-14/h1-10,12-13,23H,11H2,(H2,24,25,26,27,28)
InChIKeyHFZLSBYKNUOHPL-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.68
Rot. Bonds5

About 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea

1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea (PubChem CID 156770236) has the molecular formula C20H17N7O and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea.

Molecular Properties

Compound Name1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea
PubChem CID156770236
Molecular FormulaC20H17N7O
Molecular Weight371.40 g/mol
Exact Mass371.15
IUPAC Name1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea
SMILESO=C(Nc1cccnc1)Nc1ncc2ccc(NCc3cccnc3)cc2n1
InChIInChI=1S/C20H17N7O/c28-20(25-17-4-2-8-22-13-17)27-19-24-12-15-5-6-16(9-18(15)26-19)23-11-14-3-1-7-21-10-14/h1-10,12-13,23H,11H2,(H2,24,25,26,27,28)
InChIKeyHFZLSBYKNUOHPL-UHFFFAOYSA-N
XLogP3.68
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
N-phenyl-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109258997
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
4-(pyridin-3-ylcarbamoylamino)benzamide
CID 47129704
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
2-chloro-4-(pyridin-3-ylmethylamino)benzoic acid
CID 16767368
N-(3-chlorophenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259024
N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea?
The IUPAC name of 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea (CID 156770236) is 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea.
What is the SMILES notation for 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea?
The canonical SMILES for 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea is O=C(Nc1cccnc1)Nc1ncc2ccc(NCc3cccnc3)cc2n1.
What is the InChIKey of 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea?
The InChIKey is HFZLSBYKNUOHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7O/c28-20(25-17-4-2-8-22-13-17)27-19-24-12-15-5-6-16(9-18(15)26-19)23-11-14-3-1-7-21-10-14/h1-10,12-13,23H,11H2,(H2,24,25,26,27,28).
What are the key properties of 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea?
1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea has a molecular weight of 371.40 g/mol, XLogP of 3.68, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-yl-3-[7-(pyridin-3-ylmethylamino)quinazolin-2-yl]urea is sourced from PubChem (CID 156770236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).