N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C26H25N7O — CID 50944015

IUPACN-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCCc3ccccn3)c2C1
InChIInChI=1S/C26H25N7O/c34-26(30-21-7-2-1-3-8-21)33-17-12-23-22(18-33)25(29-16-11-20-6-4-5-13-28-20)32-24(31-23)19-9-14-27-15-10-19/h1-10,13-15H,11-12,16-18H2,(H,30,34)(H,29,31,32)
InChIKeyQISVXXJKNHGEBH-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.18
Rot. Bonds6

About N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 50944015) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID50944015
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC NameN-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCCc3ccccn3)c2C1
InChIInChI=1S/C26H25N7O/c34-26(30-21-7-2-1-3-8-21)33-17-12-23-22(18-33)25(29-16-11-20-6-4-5-13-28-20)32-24(31-23)19-9-14-27-15-10-19/h1-10,13-15H,11-12,16-18H2,(H,30,34)(H,29,31,32)
InChIKeyQISVXXJKNHGEBH-UHFFFAOYSA-N
XLogP4.18
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 50944015) is N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is O=C(Nc1ccccc1)N1CCc2nc(-c3ccncc3)nc(NCCc3ccccn3)c2C1.
What is the InChIKey of N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is QISVXXJKNHGEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c34-26(30-21-7-2-1-3-8-21)33-17-12-23-22(18-33)25(29-16-11-20-6-4-5-13-28-20)32-24(31-23)19-9-14-27-15-10-19/h1-10,13-15H,11-12,16-18H2,(H,30,34)(H,29,31,32).
What are the key properties of N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyridin-4-yl-4-(2-pyridin-2-ylethylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 50944015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).