6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide

C22H18N4O2 — CID 90206422

IUPAC6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NC2=NC3=CC=CC(c4ccccc4)=CN3C=C2)n1
InChIInChI=1S/C22H18N4O2/c1-28-21-12-6-10-18(23-21)22(27)25-19-13-14-26-15-17(9-5-11-20(26)24-19)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,27)
InChIKeyCZDZGQSESSNOSE-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.50
Rot. Bonds3

About 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide

6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide (PubChem CID 90206422) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide
PubChem CID90206422
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide
SMILESCOc1cccc(C(=O)NC2=NC3=CC=CC(c4ccccc4)=CN3C=C2)n1
InChIInChI=1S/C22H18N4O2/c1-28-21-12-6-10-18(23-21)22(27)25-19-13-14-26-15-17(9-5-11-20(26)24-19)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,27)
InChIKeyCZDZGQSESSNOSE-UHFFFAOYSA-N
XLogP3.50
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide?
The IUPAC name of 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide (CID 90206422) is 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide is COc1cccc(C(=O)NC2=NC3=CC=CC(c4ccccc4)=CN3C=C2)n1.
What is the InChIKey of 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide?
The InChIKey is CZDZGQSESSNOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-28-21-12-6-10-18(23-21)22(27)25-19-13-14-26-15-17(9-5-11-20(26)24-19)16-7-3-2-4-8-16/h2-15H,1H3,(H,24,25,27).
What are the key properties of 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide?
6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(7-phenylpyrimido[1,2-a]azepin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 90206422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).