N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide

C23H23N7O2 — CID 66576652

IUPACN-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)Cc3cnc[nH]3)c2cn1
InChIInChI=1S/C23H23N7O2/c1-2-26-23(32)30-21-10-19-18(15-5-7-24-8-6-15)4-3-16(20(19)13-27-21)11-28-22(31)9-17-12-25-14-29-17/h3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,28,31)(H2,26,27,30,32)
InChIKeyKKTNJGJLRZRSLS-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.02
Rot. Bonds7

About N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide

N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 66576652) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID66576652
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC NameN-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide
SMILESCCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)Cc3cnc[nH]3)c2cn1
InChIInChI=1S/C23H23N7O2/c1-2-26-23(32)30-21-10-19-18(15-5-7-24-8-6-15)4-3-16(20(19)13-27-21)11-28-22(31)9-17-12-25-14-29-17/h3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,28,31)(H2,26,27,30,32)
InChIKeyKKTNJGJLRZRSLS-UHFFFAOYSA-N
XLogP3.02
TPSA124.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide with MolForge

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Related Compounds

[3-(ethylcarbamoylamino)-5-[2-(hydroxymethyl)-4-pyridinyl]isoquinolin-8-yl]methylcarbamic acid
CID 123138368
N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]-3-methoxypropanamide
CID 66576334
[5-(2-carbamoyl-4-pyridinyl)-3-(ethylcarbamoylamino)isoquinolin-8-yl]methylcarbamic acid
CID 123246444
[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl N-[(1-methylimidazol-2-yl)methyl]carbamate
CID 123425870
1-ethyl-3-[8-[(6-methyl-2-pyridinyl)amino]-5-pyridin-4-ylisoquinolin-3-yl]urea
CID 67450257
N-ethyl-2-(1H-imidazol-5-yl)acetamide;sulfanylidenephosphane
CID 91572909
methyl N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]-N-methylcarbamate
CID 66576338
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide
CID 66576180
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]acetamide
CID 66576105
3-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]amino]benzoic acid
CID 67450151
1-ethyl-3-[5-(5-fluoro-2-methyl-4-pyridinyl)-8-methylisoquinolin-3-yl]urea
CID 123474336
2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide (CID 66576652) is N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide is CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(CNC(=O)Cc3cnc[nH]3)c2cn1.
What is the InChIKey of N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is KKTNJGJLRZRSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-2-26-23(32)30-21-10-19-18(15-5-7-24-8-6-15)4-3-16(20(19)13-27-21)11-28-22(31)9-17-12-25-14-29-17/h3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,28,31)(H2,26,27,30,32).
What are the key properties of N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide?
N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 429.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoylamino)-5-pyridin-4-ylisoquinolin-8-yl]methyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 66576652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).