(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

C21H23N7O2 — CID 118124849

IUPAC(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCOc1cc(NC(=O)N2c3nc(-c4ccc(C)nc4)ccc3NCC[C@H]2C)ncn1
InChIInChI=1S/C21H23N7O2/c1-13-4-5-15(11-23-13)16-6-7-17-20(26-16)28(14(2)8-9-22-17)21(29)27-18-10-19(30-3)25-12-24-18/h4-7,10-12,14,22H,8-9H2,1-3H3,(H,24,25,27,29)/t14-/m1/s1
InChIKeyUBZGTSYIVYSLOX-CQSZACIVSA-N
MW405.46 g/mol
LogP3.49
Rot. Bonds3

About (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 118124849) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID118124849
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC Name(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESCOc1cc(NC(=O)N2c3nc(-c4ccc(C)nc4)ccc3NCC[C@H]2C)ncn1
InChIInChI=1S/C21H23N7O2/c1-13-4-5-15(11-23-13)16-6-7-17-20(26-16)28(14(2)8-9-22-17)21(29)27-18-10-19(30-3)25-12-24-18/h4-7,10-12,14,22H,8-9H2,1-3H3,(H,24,25,27,29)/t14-/m1/s1
InChIKeyUBZGTSYIVYSLOX-CQSZACIVSA-N
XLogP3.49
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124845
(4R)-4-methyl-7-(5-methyl-3-pyridinyl)-N-pyrimidin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124863
(4R)-N-(3-methoxypyrazin-2-yl)-4-methyl-7-(2-methyl-4-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125050
(4R)-4-methyl-7-phenyl-N-pyridin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125294
(4R)-N-[6-(furan-3-yl)-2-pyridinyl]-4-methyl-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 158711370
(4R)-7-(3-cyanophenyl)-4-methyl-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124808
N-(6-methoxypyrimidin-4-yl)-5-[3-(trifluoromethyl)phenyl]-1,6,8-triazatricyclo[7.2.2.02,7]trideca-2(7),3,5-triene-8-carboxamide
CID 118124781
(4R)-N-[6-[(2R)-2,3-dihydroxypropoxy]-2-pyridinyl]-4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118133077
7-[3-(2,3-dihydroxypropyl)phenyl]-N-(6-methoxypyrimidin-4-yl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124915
(4S)-N-(4,5-dimethyl-1H-pyrrol-2-yl)-4-methyl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 123330169
(4R)-4-methyl-N-quinoxalin-5-yl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124707
N-(6-methoxypyrimidin-4-yl)-2,3-dimethylpyrrolidine-1-carboxamide
CID 84600278

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 118124849) is (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is COc1cc(NC(=O)N2c3nc(-c4ccc(C)nc4)ccc3NCC[C@H]2C)ncn1.
What is the InChIKey of (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is UBZGTSYIVYSLOX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-13-4-5-15(11-23-13)16-6-7-17-20(26-16)28(14(2)8-9-22-17)21(29)27-18-10-19(30-3)25-12-24-18/h4-7,10-12,14,22H,8-9H2,1-3H3,(H,24,25,27,29)/t14-/m1/s1.
What are the key properties of (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
(4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(6-methoxypyrimidin-4-yl)-4-methyl-7-(6-methyl-3-pyridinyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 118124849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).