6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide

C19H25N5O2 — CID 50965940

IUPAC6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3nc(C)n(C)c(=O)c3CC2)nc1
InChIInChI=1S/C19H25N5O2/c1-4-9-20-18(25)14-5-6-17(21-12-14)24-10-7-15-16(8-11-24)22-13(2)23(3)19(15)26/h5-6,12H,4,7-11H2,1-3H3,(H,20,25)
InChIKeyXXIXXGSQMAZFQQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.23
Rot. Bonds4

About 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide

6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide (PubChem CID 50965940) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide
PubChem CID50965940
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCc3nc(C)n(C)c(=O)c3CC2)nc1
InChIInChI=1S/C19H25N5O2/c1-4-9-20-18(25)14-5-6-17(21-12-14)24-10-7-15-16(8-11-24)22-13(2)23(3)19(15)26/h5-6,12H,4,7-11H2,1-3H3,(H,20,25)
InChIKeyXXIXXGSQMAZFQQ-UHFFFAOYSA-N
XLogP1.23
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[3-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-3-oxopropyl]-4-methylbenzamide
CID 50975347
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133342735
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133315644
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133344391
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
6-[4-(2-methylphenyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44527508
6-[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 25065476
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-(2-ethylsulfanylethyl)-6-(4-pentanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 11280398

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide (CID 50965940) is 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(N2CCc3nc(C)n(C)c(=O)c3CC2)nc1.
What is the InChIKey of 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide?
The InChIKey is XXIXXGSQMAZFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-4-9-20-18(25)14-5-6-17(21-12-14)24-10-7-15-16(8-11-24)22-13(2)23(3)19(15)26/h5-6,12H,4,7-11H2,1-3H3,(H,20,25).
What are the key properties of 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide?
6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethyl-4-oxo-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 50965940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).