2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C19H23N5O2 — CID 91762727

IUPAC2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCNc1cc(C2CC(NC(=O)c3cc4c(nc3OC)CCC4)C2)ncn1
InChIInChI=1S/C19H23N5O2/c1-20-17-9-16(21-10-22-17)12-6-13(7-12)23-18(25)14-8-11-4-3-5-15(11)24-19(14)26-2/h8-10,12-13H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyIDOMHIJHGWOMMJ-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.09
Rot. Bonds5

About 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 91762727) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID91762727
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCNc1cc(C2CC(NC(=O)c3cc4c(nc3OC)CCC4)C2)ncn1
InChIInChI=1S/C19H23N5O2/c1-20-17-9-16(21-10-22-17)12-6-13(7-12)23-18(25)14-8-11-4-3-5-15(11)24-19(14)26-2/h8-10,12-13H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyIDOMHIJHGWOMMJ-UHFFFAOYSA-N
XLogP2.09
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 91762727) is 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CNc1cc(C2CC(NC(=O)c3cc4c(nc3OC)CCC4)C2)ncn1.
What is the InChIKey of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is IDOMHIJHGWOMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-20-17-9-16(21-10-22-17)12-6-13(7-12)23-18(25)14-8-11-4-3-5-15(11)24-19(14)26-2/h8-10,12-13H,3-7H2,1-2H3,(H,23,25)(H,20,21,22).
What are the key properties of 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[6-(methylamino)pyrimidin-4-yl]cyclobutyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 91762727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).