4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one

C19H15N5O — CID 123653745

IUPAC4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2cccc(-c3cccnc3)c2)c2cccnc2[nH]1
InChIInChI=1S/C19H15N5O/c25-19-23-17-16(7-3-9-21-17)18(24-19)22-11-13-4-1-5-14(10-13)15-6-2-8-20-12-15/h1-10,12H,11H2,(H2,21,22,23,24,25)
InChIKeyCWRBKFADQVWYNR-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.99
Rot. Bonds4

About 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one

4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one (PubChem CID 123653745) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one
PubChem CID123653745
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(NCc2cccc(-c3cccnc3)c2)c2cccnc2[nH]1
InChIInChI=1S/C19H15N5O/c25-19-23-17-16(7-3-9-21-17)18(24-19)22-11-13-4-1-5-14(10-13)15-6-2-8-20-12-15/h1-10,12H,11H2,(H2,21,22,23,24,25)
InChIKeyCWRBKFADQVWYNR-UHFFFAOYSA-N
XLogP2.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 123952107
N-[2-(dimethylamino)ethyl]-3-[4-[[(2-oxo-1H-pyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzamide
CID 123827591
1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
CID 100696687
6-methyl-N-[(3-nitrophenyl)methyl]-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460094
3-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]benzonitrile
CID 123877756
N-[(3-pyridin-3-ylphenyl)methyl]pyrimidine-4-carboxamide
CID 70978537
4-pyridin-3-yl-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 44548154
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
N-[(3-ethoxyphenyl)methyl]-5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133317332
2-[[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]methylamino]pyridine-3-carboxylic acid
CID 67086504
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201

Frequently Asked Questions

What is the IUPAC name of 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one (CID 123653745) is 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one is O=c1nc(NCc2cccc(-c3cccnc3)c2)c2cccnc2[nH]1.
What is the InChIKey of 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one?
The InChIKey is CWRBKFADQVWYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19-23-17-16(7-3-9-21-17)18(24-19)22-11-13-4-1-5-14(10-13)15-6-2-8-20-12-15/h1-10,12H,11H2,(H2,21,22,23,24,25).
What are the key properties of 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one?
4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 329.36 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-pyridin-3-ylphenyl)methylamino]-1H-pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 123653745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).