N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide

C14H20N4O2 — CID 110876717

IUPACN-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N(C)C)cn1
InChIInChI=1S/C14H20N4O2/c1-9-7-16-12(8-15-9)13(19)17-11-6-4-5-10(11)14(20)18(2)3/h7-8,10-11H,4-6H2,1-3H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyIZNSPZQUOJEKQZ-WDEREUQCSA-N
MW276.34 g/mol
LogP0.77
Rot. Bonds3

About N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide

N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 110876717) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID110876717
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N(C)C)cn1
InChIInChI=1S/C14H20N4O2/c1-9-7-16-12(8-15-9)13(19)17-11-6-4-5-10(11)14(20)18(2)3/h7-8,10-11H,4-6H2,1-3H3,(H,17,19)/t10-,11+/m0/s1
InChIKeyIZNSPZQUOJEKQZ-WDEREUQCSA-N
XLogP0.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrazine-2-carboxylic acid [1-(1-ethylaminooxalyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 44353510
pyrazinoyl-Leu-Ile-Gly-Arg-Leu-Ile-NH2
CID 44433914
[(1R)-3-methyl-1-[[(2R)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 74767136
[(1R)-3-methyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butyl]boronic acid
CID 164611518
Lonp1-IN-2
CID 164611915
[(1R)-3-methyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)butanoyl]amino]butyl]boronic acid
CID 164612283
[(1R)-1-[[(2R)-3-cyclohexyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid
CID 164615471
[(1R)-2-cyclohexyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]ethyl]boronic acid
CID 164623153
[(1R)-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]pentyl]boronic acid
CID 164629151
[(1S)-3-methyl-1-[[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]pentanoyl]amino]butyl]boronic acid
CID 46227313
N-[(1S)-1-[[(1S,2S)-1-[[(1S)-2-[[(1S)-3-(allylamino)-1-ethyl-2,3-dioxo-propyl]amino]-1-(cyclohexylmethyl)-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]pyrazine-2-carboxamide
CID 504181
N-[(1S)-1-[[(1S,2S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-ethyl-3-(ethylamino)-2,3-dioxo-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]pyrazine-2-carboxamide
CID 504182

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (CID 110876717) is N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N(C)C)cn1.
What is the InChIKey of N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is IZNSPZQUOJEKQZ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-7-16-12(8-15-9)13(19)17-11-6-4-5-10(11)14(20)18(2)3/h7-8,10-11H,4-6H2,1-3H3,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-(dimethylcarbamoyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 110876717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).