4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide

C27H25Cl2N5O2 — CID 168863146

IUPAC4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
SMILESCCN(CC)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)ncnc12
InChIInChI=1S/C27H25Cl2N5O2/c1-3-34(4-2)26-20(27(35)33-21-9-10-36-22-8-6-5-7-19(21)22)14-30-24-23(31-15-32-25(24)26)16-11-17(28)13-18(29)12-16/h5-8,11-15,21H,3-4,9-10H2,1-2H3,(H,33,35)/t21-/m0/s1
InChIKeyCGNUYRKGJHSOJY-NRFANRHFSA-N
MW522.44 g/mol
LogP6.10
Rot. Bonds6

About 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide

4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide (PubChem CID 168863146) has the molecular formula C27H25Cl2N5O2 and a molecular weight of 522.44 g/mol. Its IUPAC name is 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
PubChem CID168863146
Molecular FormulaC27H25Cl2N5O2
Molecular Weight522.44 g/mol
Exact Mass521.14
IUPAC Name4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide
SMILESCCN(CC)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)ncnc12
InChIInChI=1S/C27H25Cl2N5O2/c1-3-34(4-2)26-20(27(35)33-21-9-10-36-22-8-6-5-7-19(21)22)14-30-24-23(31-15-32-25(24)26)16-11-17(28)13-18(29)12-16/h5-8,11-15,21H,3-4,9-10H2,1-2H3,(H,33,35)/t21-/m0/s1
InChIKeyCGNUYRKGJHSOJY-NRFANRHFSA-N
XLogP6.10
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.44
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,5-naphthyridine-3-carboxamide
CID 146501502
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-phenyl-1,7-naphthyridine-3-carboxamide
CID 154942201
N-[(4R)-7-chloro-3,4-dihydro-2H-chromen-4-yl]-8-(3,5-dichlorophenyl)-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154942170
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(4-oxoimidazolidin-1-yl)-1,7-naphthyridine-3-carboxamide
CID 154942289
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-propan-2-ylquinoline-3-carboxamide
CID 134502145
1-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-(dimethylamino)isoquinoline-6-carboxamide
CID 152677178
4-(azetidin-1-yl)-8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134511570
8-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-yl-1,5-naphthyridine-3-carboxamide
CID 137372253
4-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-8-(2,3,5-trifluorophenyl)-1,7-naphthyridine-3-carboxamide
CID 168863137
8-(3,5-dichloro-2-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-(dimethylamino)-1,7-naphthyridine-3-carboxamide
CID 154951312
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
6-(3,5-dichlorophenyl)sulfanyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-morpholin-4-ylpyridine-3-carboxamide
CID 163397192

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide?
The IUPAC name of 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide (CID 168863146) is 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide.
What is the SMILES notation for 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide?
The canonical SMILES for 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide is CCN(CC)c1c(C(=O)N[C@H]2CCOc3ccccc32)cnc2c(-c3cc(Cl)cc(Cl)c3)ncnc12.
What is the InChIKey of 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide?
The InChIKey is CGNUYRKGJHSOJY-NRFANRHFSA-N. The full InChI is InChI=1S/C27H25Cl2N5O2/c1-3-34(4-2)26-20(27(35)33-21-9-10-36-22-8-6-5-7-19(21)22)14-30-24-23(31-15-32-25(24)26)16-11-17(28)13-18(29)12-16/h5-8,11-15,21H,3-4,9-10H2,1-2H3,(H,33,35)/t21-/m0/s1.
What are the key properties of 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide?
4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 522.44 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichlorophenyl)-8-(diethylamino)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]pyrido[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 168863146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).