2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide

C19H21N5O3 — CID 91909057

IUPAC2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCc3nc(C4CC4)ncc3C2=O)cn1
InChIInChI=1S/C19H21N5O3/c1-27-17-7-6-13(9-20-17)22-16(25)11-24-8-2-3-15-14(19(24)26)10-21-18(23-15)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,22,25)
InChIKeyHEXZISORHPMDEC-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.78
Rot. Bonds5

About 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide

2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide (PubChem CID 91909057) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide
PubChem CID91909057
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide
SMILESCOc1ccc(NC(=O)CN2CCCc3nc(C4CC4)ncc3C2=O)cn1
InChIInChI=1S/C19H21N5O3/c1-27-17-7-6-13(9-20-17)22-16(25)11-24-8-2-3-15-14(19(24)26)10-21-18(23-15)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,22,25)
InChIKeyHEXZISORHPMDEC-UHFFFAOYSA-N
XLogP1.78
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide with MolForge

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Related Compounds

2-cyclopropyl-6-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-8,9-dihydro-7H-pyrimido[5,4-c]azepin-5-one
CID 91909054
N-(6-methoxy-3-pyridinyl)-2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetamide
CID 53370439
N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide
CID 91909035
2-(1,4-diazepan-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 62837342
2-(cyclopropylamino)-N-(6-methoxy-3-pyridinyl)acetamide
CID 60688381
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 27449421
N-(6-methoxy-3-pyridinyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 56762271
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-(4-hydroxy-2-methyl-6-oxo-1-pyridinyl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 75489853
4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 75479801
2-(2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 24539320
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The IUPAC name of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide (CID 91909057) is 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The canonical SMILES for 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide is COc1ccc(NC(=O)CN2CCCc3nc(C4CC4)ncc3C2=O)cn1.
What is the InChIKey of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
The InChIKey is HEXZISORHPMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-27-17-7-6-13(9-20-17)22-16(25)11-24-8-2-3-15-14(19(24)26)10-21-18(23-15)12-4-5-12/h6-7,9-10,12H,2-5,8,11H2,1H3,(H,22,25).
What are the key properties of 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide?
2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)-N-(6-methoxy-3-pyridinyl)acetamide is sourced from PubChem (CID 91909057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).