N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C27H26FN7O — CID 71450487

IUPACN-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1cccc(F)c1)CC2
InChIInChI=1S/C27H26FN7O/c1-34(15-10-21-6-2-3-12-30-21)26-23-18-35(27(36)31-22-7-4-5-20(28)17-22)16-11-24(23)32-25(33-26)19-8-13-29-14-9-19/h2-9,12-14,17H,10-11,15-16,18H2,1H3,(H,31,36)
InChIKeyVHJQSKILWMYVHW-UHFFFAOYSA-N
MW483.55 g/mol
LogP4.34
Rot. Bonds6

About N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 71450487) has the molecular formula C27H26FN7O and a molecular weight of 483.55 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID71450487
Molecular FormulaC27H26FN7O
Molecular Weight483.55 g/mol
Exact Mass483.22
IUPAC NameN-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1cccc(F)c1)CC2
InChIInChI=1S/C27H26FN7O/c1-34(15-10-21-6-2-3-12-30-21)26-23-18-35(27(36)31-22-7-4-5-20(28)17-22)16-11-24(23)32-25(33-26)19-8-13-29-14-9-19/h2-9,12-14,17H,10-11,15-16,18H2,1H3,(H,31,36)
InChIKeyVHJQSKILWMYVHW-UHFFFAOYSA-N
XLogP4.34
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 71450487) is N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CN(CCc1ccccn1)c1nc(-c2ccncc2)nc2c1CN(C(=O)Nc1cccc(F)c1)CC2.
What is the InChIKey of N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is VHJQSKILWMYVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN7O/c1-34(15-10-21-6-2-3-12-30-21)26-23-18-35(27(36)31-22-7-4-5-20(28)17-22)16-11-24(23)32-25(33-26)19-8-13-29-14-9-19/h2-9,12-14,17H,10-11,15-16,18H2,1H3,(H,31,36).
What are the key properties of N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 483.55 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-[methyl(2-pyridin-2-ylethyl)amino]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 71450487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).