3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide

C22H28N6O — CID 137037663

IUPAC3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2CCN(c3cnc4ncc5[nH]cccc5c34)CC2)C1
InChIInChI=1S/C22H28N6O/c1-15-4-3-9-28(14-15)22(29)26-16-6-10-27(11-7-16)19-13-25-21-20(19)17-5-2-8-23-18(17)12-24-21/h2,5,8,12-13,15-16,23H,3-4,6-7,9-11,14H2,1H3,(H,26,29)
InChIKeyOOQPGLMWFANVFX-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.52
Rot. Bonds2

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

3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 137037663) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide
PubChem CID137037663
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC2CCN(c3cnc4ncc5[nH]cccc5c34)CC2)C1
InChIInChI=1S/C22H28N6O/c1-15-4-3-9-28(14-15)22(29)26-16-6-10-27(11-7-16)19-13-25-21-20(19)17-5-2-8-23-18(17)12-24-21/h2,5,8,12-13,15-16,23H,3-4,6-7,9-11,14H2,1H3,(H,26,29)
InChIKeyOOQPGLMWFANVFX-UHFFFAOYSA-N
XLogP3.52
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide (CID 137037663) is 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide is CC1CCCN(C(=O)NC2CCN(c3cnc4ncc5[nH]cccc5c34)CC2)C1.
What is the InChIKey of 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide?
The InChIKey is OOQPGLMWFANVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-15-4-3-9-28(14-15)22(29)26-16-6-10-27(11-7-16)19-13-25-21-20(19)17-5-2-8-23-18(17)12-24-21/h2,5,8,12-13,15-16,23H,3-4,6-7,9-11,14H2,1H3,(H,26,29).
What are the key properties of 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide?
3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(6H-pyrrolo[3,2-f][1,7]naphthyridin-1-yl)piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 137037663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).