N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide

C26H29N7O2 — CID 118324431

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide
SMILESCNc1ncc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(-c3c(C)cnn3C)c2)cn1
InChIInChI=1S/C26H29N7O2/c1-14-7-16(3)32-25(35)22(14)13-28-24(34)21-9-18(19-11-29-26(27-5)30-12-19)8-20(17(21)4)23-15(2)10-31-33(23)6/h7-12H,13H2,1-6H3,(H,28,34)(H,32,35)(H,27,29,30)
InChIKeyKLBUHKIAUSWYNS-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.44
Rot. Bonds6

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide (PubChem CID 118324431) has the molecular formula C26H29N7O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide
PubChem CID118324431
Molecular FormulaC26H29N7O2
Molecular Weight471.57 g/mol
Exact Mass471.24
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide
SMILESCNc1ncc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(-c3c(C)cnn3C)c2)cn1
InChIInChI=1S/C26H29N7O2/c1-14-7-16(3)32-25(35)22(14)13-28-24(34)21-9-18(19-11-29-26(27-5)30-12-19)8-20(17(21)4)23-15(2)10-31-33(23)6/h7-12H,13H2,1-6H3,(H,28,34)(H,32,35)(H,27,29,30)
InChIKeyKLBUHKIAUSWYNS-UHFFFAOYSA-N
XLogP3.44
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CID 44236353
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 21
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Pyrazolo[4,3-h]quinazoline-3-carboxamide, 19
CID 44235884
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 17
CID 45269647
6-[4-methyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]-3H-quinazolin-4-one
CID 136254194
(E)-1-(4-methylphenyl)-4-[7-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]but-2-ene-1,4-dione
CID 162669042
3-[4-[5-Methyl-2-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 164609050
6-cyclopropyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9269197
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
5-(2-aminopyrimidin-4-yl)-2-(2,3-dimethylphenyl)-1H-pyrrole-3-carboxamide
CID 24809769
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157359

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide (CID 118324431) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide is CNc1ncc(-c2cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c(C)c(-c3c(C)cnn3C)c2)cn1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide?
The InChIKey is KLBUHKIAUSWYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2/c1-14-7-16(3)32-25(35)22(14)13-28-24(34)21-9-18(19-11-29-26(27-5)30-12-19)8-20(17(21)4)23-15(2)10-31-33(23)6/h7-12H,13H2,1-6H3,(H,28,34)(H,32,35)(H,27,29,30).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide has a molecular weight of 471.57 g/mol, XLogP of 3.44, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(1,4-dimethylpyrazol-5-yl)-2-methyl-5-[2-(methylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 118324431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).