N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide

C16H24N4O3 — CID 146038626

IUPACN-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide
SMILESCOCCC(=O)N[C@H]1CC[C@@H](NC(=O)CCc2cnccn2)C1
InChIInChI=1S/C16H24N4O3/c1-23-9-6-16(22)20-13-3-2-12(10-13)19-15(21)5-4-14-11-17-7-8-18-14/h7-8,11-13H,2-6,9-10H2,1H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyKKLZHWHLIZQRHF-OLZOCXBDSA-N
MW320.39 g/mol
LogP0.60
Rot. Bonds8

About N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide

N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide (PubChem CID 146038626) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide
PubChem CID146038626
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide
SMILESCOCCC(=O)N[C@H]1CC[C@@H](NC(=O)CCc2cnccn2)C1
InChIInChI=1S/C16H24N4O3/c1-23-9-6-16(22)20-13-3-2-12(10-13)19-15(21)5-4-14-11-17-7-8-18-14/h7-8,11-13H,2-6,9-10H2,1H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1
InChIKeyKKLZHWHLIZQRHF-OLZOCXBDSA-N
XLogP0.60
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-pyrazin-2-ylpropanamide
CID 127118096
tert-butyl N-[2,2-dimethyl-3-(3-pyrazin-2-ylpropanoylamino)cyclobutyl]carbamate
CID 126839890
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-[(3R,4R)-1-methyl-4-phenylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 124887001
N-[(1R,5R,6S,7R)-7-(methanesulfonamido)-2-oxabicyclo[3.2.0]heptan-6-yl]-3-pyrazin-2-ylpropanamide
CID 91786687
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445
N-[(3R,4S)-1-methylsulfonyl-4-propan-2-ylpyrrolidin-3-yl]-3-pyrazin-2-ylpropanamide
CID 72882396
1-(3-pyrazin-2-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 119061410
N-[(3R,4S)-4-[(6-methyl-3-pyridinyl)oxy]oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91760405
N-[(3R,4S)-4-(cyclobutylmethoxy)oxan-3-yl]-3-pyrazin-2-ylpropanamide
CID 91788580
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-methoxypropanamide
CID 62589135
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide (CID 146038626) is N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide is COCCC(=O)N[C@H]1CC[C@@H](NC(=O)CCc2cnccn2)C1.
What is the InChIKey of N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is KKLZHWHLIZQRHF-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-23-9-6-16(22)20-13-3-2-12(10-13)19-15(21)5-4-14-11-17-7-8-18-14/h7-8,11-13H,2-6,9-10H2,1H3,(H,19,21)(H,20,22)/t12-,13+/m1/s1.
What are the key properties of N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide?
N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 320.39 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(3-methoxypropanoylamino)cyclopentyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 146038626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).