N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H18N6O2 — CID 136665174

IUPACN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CC(c2cc(=O)[nH]c(N)n2)C1
InChIInChI=1S/C17H18N6O2/c1-9-15(23-5-3-2-4-13(23)19-9)16(25)20-11-6-10(7-11)12-8-14(24)22-17(18)21-12/h2-5,8,10-11H,6-7H2,1H3,(H,20,25)(H3,18,21,22,24)
InChIKeyBAGONRUUKCGNMS-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.98
Rot. Bonds3

About N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 136665174) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID136665174
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC NameN-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1nc2ccccn2c1C(=O)NC1CC(c2cc(=O)[nH]c(N)n2)C1
InChIInChI=1S/C17H18N6O2/c1-9-15(23-5-3-2-4-13(23)19-9)16(25)20-11-6-10(7-11)12-8-14(24)22-17(18)21-12/h2-5,8,10-11H,6-7H2,1H3,(H,20,25)(H3,18,21,22,24)
InChIKeyBAGONRUUKCGNMS-UHFFFAOYSA-N
XLogP0.98
TPSA118.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 136665174) is N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is Cc1nc2ccccn2c1C(=O)NC1CC(c2cc(=O)[nH]c(N)n2)C1.
What is the InChIKey of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is BAGONRUUKCGNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-9-15(23-5-3-2-4-13(23)19-9)16(25)20-11-6-10(7-11)12-8-14(24)22-17(18)21-12/h2-5,8,10-11H,6-7H2,1H3,(H,20,25)(H3,18,21,22,24).
What are the key properties of N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-6-oxo-1H-pyrimidin-4-yl)cyclobutyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 136665174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).