N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide

C18H18N6O — CID 88937848

IUPACN-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
SMILESN#CCNC(=O)C1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C18H18N6O/c19-5-8-22-18(25)13-2-1-9-24(11-13)17-15-12(3-6-21-17)10-23-16-14(15)4-7-20-16/h3-4,6-7,10,13H,1-2,8-9,11H2,(H,20,23)(H,22,25)
InChIKeyDIAYGJQALHNTFY-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.97
Rot. Bonds3

About N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide

N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide (PubChem CID 88937848) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
PubChem CID88937848
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide
SMILESN#CCNC(=O)C1CCCN(c2nccc3cnc4[nH]ccc4c23)C1
InChIInChI=1S/C18H18N6O/c19-5-8-22-18(25)13-2-1-9-24(11-13)17-15-12(3-6-21-17)10-23-16-14(15)4-7-20-16/h3-4,6-7,10,13H,1-2,8-9,11H2,(H,20,23)(H,22,25)
InChIKeyDIAYGJQALHNTFY-UHFFFAOYSA-N
XLogP1.97
TPSA97.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]propanamide
CID 123774934
1-cyano-N-[1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidin-3-yl]methanesulfonamide
CID 123551195
[1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)piperidin-3-yl] N-(cyanomethyl)carbamate
CID 130362117
1-(3H-pyrrolo[2,3-c][2,7]naphthyridin-9-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 123985967
(3S)-N-(cyclopropylmethyl)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 96566817
N-(oxan-4-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 165431568
azepan-1-yl-[(3R)-1-(2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanone
CID 96567439
1-(3-chloro-4-methyl-2-pyridinyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 75457578
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
1-(11-methyl-5,7,8,10,12-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,4,6,8,11-hexaen-13-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 140686273
3-[(3R)-3-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
CID 162174537

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide?
The IUPAC name of N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide (CID 88937848) is N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide is N#CCNC(=O)C1CCCN(c2nccc3cnc4[nH]ccc4c23)C1.
What is the InChIKey of N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide?
The InChIKey is DIAYGJQALHNTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c19-5-8-22-18(25)13-2-1-9-24(11-13)17-15-12(3-6-21-17)10-23-16-14(15)4-7-20-16/h3-4,6-7,10,13H,1-2,8-9,11H2,(H,20,23)(H,22,25).
What are the key properties of N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide?
N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-1-(7H-pyrrolo[2,3-h][2,6]naphthyridin-1-yl)piperidine-3-carboxamide is sourced from PubChem (CID 88937848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).