N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide

C18H21N5O2 — CID 136555118

IUPACN-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cn1
InChIInChI=1S/C18H21N5O2/c1-11-3-6-13(17(24)22-8-12-4-5-12)7-14(11)23-18(25)15-9-21-16(19-2)10-20-15/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,19,21)(H,22,24)(H,23,25)
InChIKeyCSSKWCISNOFZQH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.22
Rot. Bonds6

About N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide

N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 136555118) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide
PubChem CID136555118
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cn1
InChIInChI=1S/C18H21N5O2/c1-11-3-6-13(17(24)22-8-12-4-5-12)7-14(11)23-18(25)15-9-21-16(19-2)10-20-15/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,19,21)(H,22,24)(H,23,25)
InChIKeyCSSKWCISNOFZQH-UHFFFAOYSA-N
XLogP2.22
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 136534622
5-chloro-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 107246307
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-ethyl-4-methylbenzamide
CID 60867288
3-acetamido-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 111460374
N-[(4-chlorocyclohexyl)methyl]-3-methoxy-4-methylbenzamide
CID 106133824
N-(4-bromo-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107373971
N-(4-fluoro-2-methylphenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107374291
3-[(5-chloropyrazine-2-carbonyl)amino]-4-methylbenzoic acid
CID 107371391
N-(2-chloro-4-iodophenyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107606098
N-[(4-methylcyclohexyl)methyl]-5-(propylamino)pyrazine-2-carboxamide
CID 107375618
N-(5-chloro-2-methylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 55042675
N-(cyclohexylmethyl)-3,4-dimethylbenzamide
CID 55349047

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide (CID 136555118) is N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)cn1.
What is the InChIKey of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is CSSKWCISNOFZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11-3-6-13(17(24)22-8-12-4-5-12)7-14(11)23-18(25)15-9-21-16(19-2)10-20-15/h3,6-7,9-10,12H,4-5,8H2,1-2H3,(H,19,21)(H,22,24)(H,23,25).
What are the key properties of N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide?
N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropylmethylcarbamoyl)-2-methylphenyl]-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 136555118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).