N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide

C25H24N6O3 — CID 121249568

IUPACN-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(-n2ccc(C)c(N3CCc4nc(N)ncc4C3)c2=O)cc1
InChIInChI=1S/C25H24N6O3/c1-15-7-11-31(19-5-3-18(4-6-19)28-23(32)22-16(2)9-12-34-22)24(33)21(15)30-10-8-20-17(14-30)13-27-25(26)29-20/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,28,32)(H2,26,27,29)
InChIKeyUHNZBGSKYRMVLQ-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.23
Rot. Bonds4

About N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide

N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide (PubChem CID 121249568) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide
PubChem CID121249568
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC NameN-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide
SMILESCc1ccoc1C(=O)Nc1ccc(-n2ccc(C)c(N3CCc4nc(N)ncc4C3)c2=O)cc1
InChIInChI=1S/C25H24N6O3/c1-15-7-11-31(19-5-3-18(4-6-19)28-23(32)22-16(2)9-12-34-22)24(33)21(15)30-10-8-20-17(14-30)13-27-25(26)29-20/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,28,32)(H2,26,27,29)
InChIKeyUHNZBGSKYRMVLQ-UHFFFAOYSA-N
XLogP3.23
TPSA119.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide?
The IUPAC name of N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide (CID 121249568) is N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide is Cc1ccoc1C(=O)Nc1ccc(-n2ccc(C)c(N3CCc4nc(N)ncc4C3)c2=O)cc1.
What is the InChIKey of N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide?
The InChIKey is UHNZBGSKYRMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-15-7-11-31(19-5-3-18(4-6-19)28-23(32)22-16(2)9-12-34-22)24(33)21(15)30-10-8-20-17(14-30)13-27-25(26)29-20/h3-7,9,11-13H,8,10,14H2,1-2H3,(H,28,32)(H2,26,27,29).
What are the key properties of N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide?
N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-4-methyl-2-oxo-1-pyridinyl]phenyl]-3-methylfuran-2-carboxamide is sourced from PubChem (CID 121249568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).