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

C18H26N4O2 — CID 91925584

IUPACN-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C18H26N4O2/c1-13-11-20-16(12-19-13)17(23)21-15-8-6-7-14(15)18(24)22-9-4-2-3-5-10-22/h11-12,14-15H,2-10H2,1H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyHUEWCHBGPVIXMH-LSDHHAIUSA-N
MW330.43 g/mol
LogP2.09
Rot. Bonds3

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

N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (PubChem CID 91925584) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
PubChem CID91925584
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCCCCC2)cn1
InChIInChI=1S/C18H26N4O2/c1-13-11-20-16(12-19-13)17(23)21-15-8-6-7-14(15)18(24)22-9-4-2-3-5-10-22/h11-12,14-15H,2-10H2,1H3,(H,21,23)/t14-,15+/m0/s1
InChIKeyHUEWCHBGPVIXMH-LSDHHAIUSA-N
XLogP2.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.09
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)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]butyl]boronic acid
CID 164611518
Lonp1-IN-2
CID 164611915
[(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
[(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
pyrazinoyl-Leu-Ile-Gly-Arg-Leu-NH2
CID 51351410
[(2R)-1-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]pentanoyl]pyrrolidin-2-yl]boronic acid
CID 137634415
N-[(1S)-1-[[(1S,2S)-1-[[(1S)-1-(cyclohexylmethyl)-2-[[(1S)-1-ethyl-2,3-dioxo-3-pyrrolidin-1-yl-propyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]-3-methyl-butyl]pyrazine-2-carboxamide
CID 504186

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide (CID 91925584) is N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)N2CCCCCC2)cn1.
What is the InChIKey of N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is HUEWCHBGPVIXMH-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-11-20-16(12-19-13)17(23)21-15-8-6-7-14(15)18(24)22-9-4-2-3-5-10-22/h11-12,14-15H,2-10H2,1H3,(H,21,23)/t14-,15+/m0/s1.
What are the key properties of N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide?
N-[(1R,2S)-2-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.09, 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-(azepane-1-carbonyl)cyclopentyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91925584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).