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

C16H18N6O — CID 118368188

IUPAC5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESC[C@H](N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1
InChIKeyNYYIGJQYEWZYJP-VIFPVBQESA-N
MW310.36 g/mol
LogP1.48
Rot. Bonds5

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

5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (PubChem CID 118368188) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
PubChem CID118368188
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide
SMILESC[C@H](N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1
InChIKeyNYYIGJQYEWZYJP-VIFPVBQESA-N
XLogP1.48
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide (CID 118368188) is 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is C[C@H](N)CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
The InChIKey is NYYIGJQYEWZYJP-VIFPVBQESA-N. The full InChI is InChI=1S/C16H18N6O/c1-9(17)7-19-13-8-20-15(16(18)23)14(22-13)12-6-10-4-2-3-5-11(10)21-12/h2-6,8-9,21H,7,17H2,1H3,(H2,18,23)(H,19,22)/t9-/m0/s1.
What are the key properties of 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide?
5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.48, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S)-2-aminopropyl]amino]-3-(1H-indol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 118368188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).