N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C19H23N5O2 — CID 172672641

IUPACN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NCc1cn2cccnc2n1
InChIInChI=1S/C19H23N5O2/c1-13(2)5-9-23-10-6-14(3)16(18(23)26)17(25)21-11-15-12-24-8-4-7-20-19(24)22-15/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,25)
InChIKeyCVDJVMFOZPYBDW-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.18
Rot. Bonds6

About N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172672641) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172672641
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)NCc1cn2cccnc2n1
InChIInChI=1S/C19H23N5O2/c1-13(2)5-9-23-10-6-14(3)16(18(23)26)17(25)21-11-15-12-24-8-4-7-20-19(24)22-15/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,25)
InChIKeyCVDJVMFOZPYBDW-UHFFFAOYSA-N
XLogP2.18
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172672641) is N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)NCc1cn2cccnc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is CVDJVMFOZPYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(2)5-9-23-10-6-14(3)16(18(23)26)17(25)21-11-15-12-24-8-4-7-20-19(24)22-15/h4,6-8,10,12-13H,5,9,11H2,1-3H3,(H,21,25).
What are the key properties of N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-4-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172672641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).