N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide

C23H21N7O2 — CID 69024398

IUPACN-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc3ncccc3n2)CCCCn2c1nc(-c1ccncn1)cc2=O
InChIInChI=1S/C23H21N7O2/c1-23(29-21(32)18-7-6-15-17(27-18)5-4-10-25-15)9-2-3-12-30-20(31)13-19(28-22(23)30)16-8-11-24-14-26-16/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,29,32)
InChIKeyRKAGFBYDLZBENC-UHFFFAOYSA-N
MW427.47 g/mol
LogP2.47
Rot. Bonds3

About N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide

N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide (PubChem CID 69024398) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide
PubChem CID69024398
Molecular FormulaC23H21N7O2
Molecular Weight427.47 g/mol
Exact Mass427.18
IUPAC NameN-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide
SMILESCC1(NC(=O)c2ccc3ncccc3n2)CCCCn2c1nc(-c1ccncn1)cc2=O
InChIInChI=1S/C23H21N7O2/c1-23(29-21(32)18-7-6-15-17(27-18)5-4-10-25-15)9-2-3-12-30-20(31)13-19(28-22(23)30)16-8-11-24-14-26-16/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,29,32)
InChIKeyRKAGFBYDLZBENC-UHFFFAOYSA-N
XLogP2.47
TPSA115.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide?
The IUPAC name of N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide (CID 69024398) is N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide is CC1(NC(=O)c2ccc3ncccc3n2)CCCCn2c1nc(-c1ccncn1)cc2=O.
What is the InChIKey of N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide?
The InChIKey is RKAGFBYDLZBENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N7O2/c1-23(29-21(32)18-7-6-15-17(27-18)5-4-10-25-15)9-2-3-12-30-20(31)13-19(28-22(23)30)16-8-11-24-14-26-16/h4-8,10-11,13-14H,2-3,9,12H2,1H3,(H,29,32).
What are the key properties of N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide?
N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide has a molecular weight of 427.47 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-methyl-4-oxo-2-pyrimidin-4-yl-6,7,8,9-tetrahydropyrimido[1,2-a]azepin-10-yl)-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 69024398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).