7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide

C27H27Cl2N5O — CID 44574781

IUPAC7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCCN(CC)C(=O)c1nc(NC(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C27H27Cl2N5O/c1-5-34(6-2)27(35)26-32-24(30-16(3)4)21-15-20(17-11-13-18(28)14-12-17)23(31-25(21)33-26)19-9-7-8-10-22(19)29/h7-16H,5-6H2,1-4H3,(H,30,31,32,33)
InChIKeyOXXZOOQIIFAICN-UHFFFAOYSA-N
MW508.45 g/mol
LogP6.97
Rot. Bonds7

About 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide

7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide (PubChem CID 44574781) has the molecular formula C27H27Cl2N5O and a molecular weight of 508.45 g/mol. Its IUPAC name is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide
PubChem CID44574781
Molecular FormulaC27H27Cl2N5O
Molecular Weight508.45 g/mol
Exact Mass507.16
IUPAC Name7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide
SMILESCCN(CC)C(=O)c1nc(NC(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1
InChIInChI=1S/C27H27Cl2N5O/c1-5-34(6-2)27(35)26-32-24(30-16(3)4)21-15-20(17-11-13-18(28)14-12-17)23(31-25(21)33-26)19-9-7-8-10-22(19)29/h7-16H,5-6H2,1-4H3,(H,30,31,32,33)
InChIKeyOXXZOOQIIFAICN-UHFFFAOYSA-N
XLogP6.97
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.45
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide (CID 44574781) is 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide is CCN(CC)C(=O)c1nc(NC(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1.
What is the InChIKey of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide?
The InChIKey is OXXZOOQIIFAICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27Cl2N5O/c1-5-34(6-2)27(35)26-32-24(30-16(3)4)21-15-20(17-11-13-18(28)14-12-17)23(31-25(21)33-26)19-9-7-8-10-22(19)29/h7-16H,5-6H2,1-4H3,(H,30,31,32,33).
What are the key properties of 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide?
7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide has a molecular weight of 508.45 g/mol, XLogP of 6.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-chlorophenyl)-6-(4-chlorophenyl)-N,N-diethyl-4-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 44574781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).