N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C19H28N4O2 — CID 91924373

IUPACN-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cnc(C)cn1)C2
InChIInChI=1S/C19H28N4O2/c1-4-13(5-2)19(25)23-15-6-7-16(23)9-14(8-15)22-18(24)17-11-20-12(3)10-21-17/h10-11,13-16H,4-9H2,1-3H3,(H,22,24)/t14?,15-,16+
InChIKeyVZMVLAXKKTXULF-MQVJKMGUSA-N
MW344.46 g/mol
LogP2.47
Rot. Bonds5

About N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91924373) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91924373
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCCC(CC)C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cnc(C)cn1)C2
InChIInChI=1S/C19H28N4O2/c1-4-13(5-2)19(25)23-15-6-7-16(23)9-14(8-15)22-18(24)17-11-20-12(3)10-21-17/h10-11,13-16H,4-9H2,1-3H3,(H,22,24)/t14?,15-,16+
InChIKeyVZMVLAXKKTXULF-MQVJKMGUSA-N
XLogP2.47
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.47
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
(1S,3S,5S)-2-[(2S)-2-amino-2-[1-(pyrazine-2-carbonyl)piperidin-4-yl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 71566968
[(1R)-2-cyclohexyl-1-[[(2R)-2-(pyrazine-2-carbonylamino)pentanoyl]amino]ethyl]boronic acid
CID 164623153
N-(4-methylcyclohexyl)pyrazine-2-carboxamide
CID 1448557
[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 3235077
[(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
(5R)-N-propan-2-yl-9-(pyrazine-2-carbonyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3233303
N-ethyl-5-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrazine-2-carboxamide
CID 7397043
2-Pyrazoyl-Cha-Ile-NH2
CID 49788153
N-[2,4-dimethyl-2-(pyrazine-2-carbonylamino)pentyl]pyrazine-2-carboxamide
CID 72135220
2-Isobutyl-8-(2-pyrazinylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72901366

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 91924373) is N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is CCC(CC)C(=O)N1[C@@H]2CC[C@H]1CC(NC(=O)c1cnc(C)cn1)C2.
What is the InChIKey of N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is VZMVLAXKKTXULF-MQVJKMGUSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-13(5-2)19(25)23-15-6-7-16(23)9-14(8-15)22-18(24)17-11-20-12(3)10-21-17/h10-11,13-16H,4-9H2,1-3H3,(H,22,24)/t14?,15-,16+.
What are the key properties of N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-8-(2-ethylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91924373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).