6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

C23H27N5O2 — CID 141307212

IUPAC6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCOCCCNCCCc1ccc(-c2cncc(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C23H27N5O2/c1-30-14-4-13-24-11-2-5-18-7-9-19(10-8-18)21-16-26-17-22(28-21)23(29)27-20-6-3-12-25-15-20/h3,6-10,12,15-17,24H,2,4-5,11,13-14H2,1H3,(H,27,29)
InChIKeyAEMQQLPEIBBEIQ-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.35
Rot. Bonds11

About 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (PubChem CID 141307212) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
PubChem CID141307212
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
SMILESCOCCCNCCCc1ccc(-c2cncc(C(=O)Nc3cccnc3)n2)cc1
InChIInChI=1S/C23H27N5O2/c1-30-14-4-13-24-11-2-5-18-7-9-19(10-8-18)21-16-26-17-22(28-21)23(29)27-20-6-3-12-25-15-20/h3,6-10,12,15-17,24H,2,4-5,11,13-14H2,1H3,(H,27,29)
InChIKeyAEMQQLPEIBBEIQ-UHFFFAOYSA-N
XLogP3.35
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-amino-6-(pyridin-3-ylcarbamoyl)pyrazin-2-yl]phenyl]ethyl methanesulfonate
CID 86661489
6-(4-propylphenyl)pyrazine-2-carbohydrazide
CID 167450854
6-(4-ethoxyphenyl)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 52947201
N-(3-methoxypropyl)-3-phenylpropan-1-amine
CID 28674385
2-N,9-N-dipyridin-3-yl-1,10-phenanthroline-2,9-dicarboxamide
CID 155927483
5-(4-chlorophenyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 780278
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
6-bromo-5-methyl-N-pyridin-3-ylpyridine-2-carboxamide
CID 163252988
4-[4-(1-methylindazol-5-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674494
N-(3-methylphenyl)-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
CID 52945969
5-methoxy-2-(pyridin-3-ylcarbamoylamino)pentanoic acid
CID 81086092
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The IUPAC name of 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide (CID 141307212) is 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is COCCCNCCCc1ccc(-c2cncc(C(=O)Nc3cccnc3)n2)cc1.
What is the InChIKey of 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
The InChIKey is AEMQQLPEIBBEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-30-14-4-13-24-11-2-5-18-7-9-19(10-8-18)21-16-26-17-22(28-21)23(29)27-20-6-3-12-25-15-20/h3,6-10,12,15-17,24H,2,4-5,11,13-14H2,1H3,(H,27,29).
What are the key properties of 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide?
6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(3-methoxypropylamino)propyl]phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide is sourced from PubChem (CID 141307212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).