2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide

C19H20N6O — CID 123774934

IUPAC2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide
SMILESCC(C#N)C(=O)NC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C19H20N6O/c1-12(9-20)19(26)24-14-3-2-8-25(11-14)18-16-13(4-6-22-18)10-23-17-15(16)5-7-21-17/h4-7,10,12,14H,2-3,8,11H2,1H3,(H,21,23)(H,24,26)
InChIKeyHVDFISNLTRKKST-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.36
Rot. Bonds3

About 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide

2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide (PubChem CID 123774934) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide
PubChem CID123774934
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide
SMILESCC(C#N)C(=O)NC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C19H20N6O/c1-12(9-20)19(26)24-14-3-2-8-25(11-14)18-16-13(4-6-22-18)10-23-17-15(16)5-7-21-17/h4-7,10,12,14H,2-3,8,11H2,1H3,(H,21,23)(H,24,26)
InChIKeyHVDFISNLTRKKST-UHFFFAOYSA-N
XLogP2.36
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide with MolForge

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Related Compounds

N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
CID 88937848
1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
CID 123551195
2-cyclopropyl-N-[1-(5,7,10,12-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)piperidin-3-yl]propanamide
CID 137121924
(2R,3S)-2-anilino-3-hydroxy-N-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]butanamide
CID 67067008
N-[1-(1H-imidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]but-2-ynamide
CID 174240244
[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)piperidin-3-yl] N-(cyanomethyl)carbamate
CID 130362117
N-(1-furo[3,2-c]pyridin-4-ylpiperidin-3-yl)acetamide
CID 171328135
2-cyano-N-(1-ethylpiperidin-3-yl)propanamide
CID 55208553
N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 129476803
(2R)-2-(3-chloro-5-fluoroanilino)-2-cyclopropyl-N-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]acetamide
CID 67969330
4-cyano-2-methyl-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]benzamide
CID 129476468
3-(furan-3-yl)-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]propanamide
CID 129339480

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide (CID 123774934) is 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide is CC(C#N)C(=O)NC1CCCN(c2nccc3cnc4[nH]ccc4c23)C1.
What is the InChIKey of 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide?
The InChIKey is HVDFISNLTRKKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-12(9-20)19(26)24-14-3-2-8-25(11-14)18-16-13(4-6-22-18)10-23-17-15(16)5-7-21-17/h4-7,10,12,14H,2-3,8,11H2,1H3,(H,21,23)(H,24,26).
What are the key properties of 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide?
2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide has a molecular weight of 348.41 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 123774934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).