N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide

C19H19N5O2 — CID 66576180

IUPACN-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide
SMILESCCNC(=O)Nc1cc2cccc(CNC(=O)c3ccccn3)c2cn1
InChIInChI=1S/C19H19N5O2/c1-2-20-19(26)24-17-10-13-6-5-7-14(15(13)12-22-17)11-23-18(25)16-8-3-4-9-21-16/h3-10,12H,2,11H2,1H3,(H,23,25)(H2,20,22,24,26)
InChIKeyTYXBOLHZGZSRIW-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.70
Rot. Bonds5

About N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide

N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide (PubChem CID 66576180) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide
PubChem CID66576180
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide
SMILESCCNC(=O)Nc1cc2cccc(CNC(=O)c3ccccn3)c2cn1
InChIInChI=1S/C19H19N5O2/c1-2-20-19(26)24-17-10-13-6-5-7-14(15(13)12-22-17)11-23-18(25)16-8-3-4-9-21-16/h3-10,12H,2,11H2,1H3,(H,23,25)(H2,20,22,24,26)
InChIKeyTYXBOLHZGZSRIW-UHFFFAOYSA-N
XLogP2.70
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]acetamide
CID 66576105
1-ethyl-3-[8-(pyridin-2-yloxymethyl)isoquinolin-3-yl]urea
CID 67447739
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]prop-2-ynamide
CID 123220049
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
CID 123999228
1-ethyl-3-[8-[(2-methyl-3-pyridinyl)oxymethyl]isoquinolin-3-yl]urea;hydrochloride
CID 67449709
pyridin-3-ylmethyl N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]carbamate
CID 66576184
1-ethyl-3-[8-(1H-imidazol-2-ylmethyl)isoquinolin-3-yl]urea
CID 67450978
methyl 6-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]pyridine-2-carboxylate
CID 67449562
1-ethyl-3-[8-(3-methylanilino)isoquinolin-3-yl]urea
CID 141308387
1-ethyl-3-[8-(4-methylanilino)isoquinolin-3-yl]urea
CID 141308384
2-[3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]phenyl]acetic acid
CID 67448484
3-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]amino]-N-methylbenzamide
CID 67447946

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide (CID 66576180) is N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide is CCNC(=O)Nc1cc2cccc(CNC(=O)c3ccccn3)c2cn1.
What is the InChIKey of N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide?
The InChIKey is TYXBOLHZGZSRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-2-20-19(26)24-17-10-13-6-5-7-14(15(13)12-22-17)11-23-18(25)16-8-3-4-9-21-16/h3-10,12H,2,11H2,1H3,(H,23,25)(H2,20,22,24,26).
What are the key properties of N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide?
N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoylamino)isoquinolin-8-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 66576180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).