N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide

C19H22N6O — CID 137071537

IUPACN-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCC1)N1CCN(c2cnc3ncc4[nH]cccc4c23)CC1
InChIInChI=1S/C19H22N6O/c26-19(23-13-3-1-4-13)25-9-7-24(8-10-25)16-12-22-18-17(16)14-5-2-6-20-15(14)11-21-18/h2,5-6,11-13,20H,1,3-4,7-10H2,(H,23,26)
InChIKeyNLKFTVCCPBREKQ-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.50
Rot. Bonds2

About N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide

N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide (PubChem CID 137071537) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide
PubChem CID137071537
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCC1)N1CCN(c2cnc3ncc4[nH]cccc4c23)CC1
InChIInChI=1S/C19H22N6O/c26-19(23-13-3-1-4-13)25-9-7-24(8-10-25)16-12-22-18-17(16)14-5-2-6-20-15(14)11-21-18/h2,5-6,11-13,20H,1,3-4,7-10H2,(H,23,26)
InChIKeyNLKFTVCCPBREKQ-UHFFFAOYSA-N
XLogP2.50
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide (CID 137071537) is N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide is O=C(NC1CCC1)N1CCN(c2cnc3ncc4[nH]cccc4c23)CC1.
What is the InChIKey of N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide?
The InChIKey is NLKFTVCCPBREKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19(23-13-3-1-4-13)25-9-7-24(8-10-25)16-12-22-18-17(16)14-5-2-6-20-15(14)11-21-18/h2,5-6,11-13,20H,1,3-4,7-10H2,(H,23,26).
What are the key properties of N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide?
N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperazine-1-carboxamide is sourced from PubChem (CID 137071537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).