N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide

C8H10ClN5O2 — CID 107372160

IUPACN-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H10ClN5O2/c9-6-4-13-5(3-14-6)7(15)11-1-2-12-8(10)16/h3-4H,1-2H2,(H,11,15)(H3,10,12,16)
InChIKeyPQCCZGTWYKXPJD-UHFFFAOYSA-N
MW243.65 g/mol
LogP-0.47
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide

N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide (PubChem CID 107372160) has the molecular formula C8H10ClN5O2 and a molecular weight of 243.65 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
PubChem CID107372160
Molecular FormulaC8H10ClN5O2
Molecular Weight243.65 g/mol
Exact Mass243.05
IUPAC NameN-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide
SMILESNC(=O)NCCNC(=O)c1cnc(Cl)cn1
InChIInChI=1S/C8H10ClN5O2/c9-6-4-13-5(3-14-6)7(15)11-1-2-12-8(10)16/h3-4H,1-2H2,(H,11,15)(H3,10,12,16)
InChIKeyPQCCZGTWYKXPJD-UHFFFAOYSA-N
XLogP-0.47
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.65
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-5-chloropyrazine-2-carboxamide
CID 107371997
N-(2-amino-2-oxoethyl)-5-chloropyrazine-2-carboxamide
CID 107243491
5-chloro-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107245707
5-chloro-N-(4-hydroxybutyl)pyrazine-2-carboxamide
CID 107258552
N-butyl-5-chloropyrazine-2-carboxamide
CID 103803228
5-chloro-N-[3-oxo-3-(propylamino)propyl]pyrazine-2-carboxamide
CID 113264996
5-chloro-N-(2-ethylsulfinylethyl)pyrazine-2-carboxamide
CID 107257652
4-[(5-chloropyrazine-2-carbonyl)amino]-2-methylbutanoic acid
CID 107371621
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
N-[4-(carbamoylamino)phenyl]-5-chloropyrazine-2-carboxamide
CID 103817085
methyl 2-[(5-chloropyrazine-2-carbonyl)amino]acetate
CID 103817109
5-chloro-N-[2-oxo-2-(propylamino)ethyl]pyrazine-2-carboxamide
CID 103803259

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide (CID 107372160) is N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide is NC(=O)NCCNC(=O)c1cnc(Cl)cn1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide?
The InChIKey is PQCCZGTWYKXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2/c9-6-4-13-5(3-14-6)7(15)11-1-2-12-8(10)16/h3-4H,1-2H2,(H,11,15)(H3,10,12,16).
What are the key properties of N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide?
N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide has a molecular weight of 243.65 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-5-chloropyrazine-2-carboxamide is sourced from PubChem (CID 107372160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).