6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide

C18H24N6O — CID 37109544

IUPAC6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cnccn1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C18H24N6O/c25-18(22-10-9-21-16-14-19-7-8-20-16)15-5-6-17(23-13-15)24-11-3-1-2-4-12-24/h5-8,13-14H,1-4,9-12H2,(H,20,21)(H,22,25)
InChIKeyKYVUIRSZGXTHMX-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds6

About 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide

6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide (PubChem CID 37109544) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
PubChem CID37109544
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cnccn1)c1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C18H24N6O/c25-18(22-10-9-21-16-14-19-7-8-20-16)15-5-6-17(23-13-15)24-11-3-1-2-4-12-24/h5-8,13-14H,1-4,9-12H2,(H,20,21)(H,22,25)
InChIKeyKYVUIRSZGXTHMX-UHFFFAOYSA-N
XLogP2.09
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
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

N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780
4-piperidin-1-yl-3-piperidin-1-ylsulfonyl-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
CID 38819154
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(azepan-1-yl)-N-(3-hydroxy-4-methylpentyl)pyridine-3-carboxamide
CID 111460670
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(pyrazin-2-ylamino)ethyl]benzamide
CID 47054980
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122327671
N-(3-amino-2-methylpropyl)-6-(azepan-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119996255

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide (CID 37109544) is 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide is O=C(NCCNc1cnccn1)c1ccc(N2CCCCCC2)nc1.
What is the InChIKey of 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is KYVUIRSZGXTHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(22-10-9-21-16-14-19-7-8-20-16)15-5-6-17(23-13-15)24-11-3-1-2-4-12-24/h5-8,13-14H,1-4,9-12H2,(H,20,21)(H,22,25).
What are the key properties of 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide?
6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-[2-(pyrazin-2-ylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 37109544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).