5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide

C16H17N5O2 — CID 118372967

IUPAC5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide
SMILESC[C@H](N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C16H17N5O2/c1-9(17)7-19-13-8-20-15(16(18)22)14(21-13)12-6-10-4-2-3-5-11(10)23-12/h2-6,8-9H,7,17H2,1H3,(H2,18,22)(H,19,21)/t9-/m0/s1
InChIKeyGESXVLPMSHUKFN-VIFPVBQESA-N
MW311.35 g/mol
LogP1.75
Rot. Bonds5

About 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide

5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide (PubChem CID 118372967) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide
PubChem CID118372967
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide
SMILESC[C@H](N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3o2)n1
InChIInChI=1S/C16H17N5O2/c1-9(17)7-19-13-8-20-15(16(18)22)14(21-13)12-6-10-4-2-3-5-11(10)23-12/h2-6,8-9H,7,17H2,1H3,(H2,18,22)(H,19,21)/t9-/m0/s1
InChIKeyGESXVLPMSHUKFN-VIFPVBQESA-N
XLogP1.75
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Bms-344577
CID 44473100
Heteroaroylguanidine, 24
CID 44473088
Nicotinoyl guanidine, 31
CID 44473095
Nicotinoyl guanidine, 34
CID 44473098
Nicotinoyl guanidine, 35
CID 44473099
3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide
CID 135393470
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[5-(methylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280219
5-[[(3R,4R)-3-aminooxan-4-yl]amino]-3-(4-methoxy-1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368174
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999
(3R)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141493000
Pyrimidine-4-carboxamide, 91
CID 44520971

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide (CID 118372967) is 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide is C[C@H](N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3o2)n1.
What is the InChIKey of 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide?
The InChIKey is GESXVLPMSHUKFN-VIFPVBQESA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9(17)7-19-13-8-20-15(16(18)22)14(21-13)12-6-10-4-2-3-5-11(10)23-12/h2-6,8-9H,7,17H2,1H3,(H2,18,22)(H,19,21)/t9-/m0/s1.
What are the key properties of 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide?
5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-aminopropyl]amino]-3-(1-benzofuran-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118372967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).