N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide

C16H15N5O2 — CID 91821938

IUPACN-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESO=C(CCNC(=O)c1cnccn1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H15N5O2/c22-15(4-6-20-16(23)14-10-17-7-8-19-14)21-12-1-2-13-11(9-12)3-5-18-13/h1-3,5,7-10,18H,4,6H2,(H,20,23)(H,21,22)
InChIKeyMYBQPIDRCADXLB-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.72
Rot. Bonds5

About N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide

N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 91821938) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID91821938
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
SMILESO=C(CCNC(=O)c1cnccn1)Nc1ccc2[nH]ccc2c1
InChIInChI=1S/C16H15N5O2/c22-15(4-6-20-16(23)14-10-17-7-8-19-14)21-12-1-2-13-11(9-12)3-5-18-13/h1-3,5,7-10,18H,4,6H2,(H,20,23)(H,21,22)
InChIKeyMYBQPIDRCADXLB-UHFFFAOYSA-N
XLogP1.72
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 110744977
N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide
CID 75490351
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
6-chloro-N-(1H-indol-5-yl)pyrazine-2-carboxamide
CID 103186986
N-(1H-indol-5-yl)-6-(pyrimidin-2-ylamino)hexanamide
CID 71707606
N-[10-(pyrazine-2-carbonylamino)decyl]pyrazine-2-carboxamide
CID 71517100
N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
CID 61249519
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132
N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 14230272
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
N-[3-(methylamino)-3-oxopropyl]-1H-indole-5-carboxamide
CID 63718286
N-(1H-indol-5-yl)-4-pyridin-3-ylbenzamide
CID 59673715

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide (CID 91821938) is N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide is O=C(CCNC(=O)c1cnccn1)Nc1ccc2[nH]ccc2c1.
What is the InChIKey of N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is MYBQPIDRCADXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(4-6-20-16(23)14-10-17-7-8-19-14)21-12-1-2-13-11(9-12)3-5-18-13/h1-3,5,7-10,18H,4,6H2,(H,20,23)(H,21,22).
What are the key properties of N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide?
N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91821938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).