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

C22H23N5O2 — CID 53232478

IUPACN-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C22H23N5O2/c1-15(2)29-21-18-14-27(22(28)24-17-8-4-3-5-9-17)12-10-19(18)25-20(26-21)16-7-6-11-23-13-16/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,24,28)
InChIKeySEYWRCHLSDFZEU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.92
Rot. Bonds4

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

N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53232478) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53232478
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C22H23N5O2/c1-15(2)29-21-18-14-27(22(28)24-17-8-4-3-5-9-17)12-10-19(18)25-20(26-21)16-7-6-11-23-13-16/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,24,28)
InChIKeySEYWRCHLSDFZEU-UHFFFAOYSA-N
XLogP3.92
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53232478) is N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is CC(C)Oc1nc(-c2cccnc2)nc2c1CN(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is SEYWRCHLSDFZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(2)29-21-18-14-27(22(28)24-17-8-4-3-5-9-17)12-10-19(18)25-20(26-21)16-7-6-11-23-13-16/h3-9,11,13,15H,10,12,14H2,1-2H3,(H,24,28).
What are the key properties of N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-propan-2-yloxy-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53232478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).