N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide

C21H17N3O2 — CID 16799373

IUPACN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide
SMILESCc1ccn2c(=O)c(NC(=O)c3cccc4ccccc34)c(C)nc2c1
InChIInChI=1S/C21H17N3O2/c1-13-10-11-24-18(12-13)22-14(2)19(21(24)26)23-20(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3,(H,23,25)
InChIKeySRXMQAKBSMYDRQ-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.72
Rot. Bonds2

About N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide

N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide (PubChem CID 16799373) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide
PubChem CID16799373
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC NameN-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide
SMILESCc1ccn2c(=O)c(NC(=O)c3cccc4ccccc34)c(C)nc2c1
InChIInChI=1S/C21H17N3O2/c1-13-10-11-24-18(12-13)22-14(2)19(21(24)26)23-20(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3,(H,23,25)
InChIKeySRXMQAKBSMYDRQ-UHFFFAOYSA-N
XLogP3.72
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide (CID 16799373) is N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide is Cc1ccn2c(=O)c(NC(=O)c3cccc4ccccc34)c(C)nc2c1.
What is the InChIKey of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide?
The InChIKey is SRXMQAKBSMYDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-10-11-24-18(12-13)22-14(2)19(21(24)26)23-20(25)17-9-5-7-15-6-3-4-8-16(15)17/h3-12H,1-2H3,(H,23,25).
What are the key properties of N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide?
N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dimethyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 16799373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).