N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide

C20H22ClN5O2 — CID 142130325

IUPACN-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide
SMILESCc1cc(-c2cncc(Nc3cccc(Cl)c3)n2)ccn1.O=CNCCCO
InChIInChI=1S/C16H13ClN4.C4H9NO2/c1-11-7-12(5-6-19-11)15-9-18-10-16(21-15)20-14-4-2-3-13(17)8-14;6-3-1-2-5-4-7/h2-10H,1H3,(H,20,21);4,6H,1-3H2,(H,5,7)
InChIKeyDTWWCYZVFAIGIQ-UHFFFAOYSA-N
MW399.88 g/mol
LogP3.36
Rot. Bonds7

About N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide

N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide (PubChem CID 142130325) has the molecular formula C20H22ClN5O2 and a molecular weight of 399.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide
PubChem CID142130325
Molecular FormulaC20H22ClN5O2
Molecular Weight399.88 g/mol
Exact Mass399.15
IUPAC NameN-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide
SMILESCc1cc(-c2cncc(Nc3cccc(Cl)c3)n2)ccn1.O=CNCCCO
InChIInChI=1S/C16H13ClN4.C4H9NO2/c1-11-7-12(5-6-19-11)15-9-18-10-16(21-15)20-14-4-2-3-13(17)8-14;6-3-1-2-5-4-7/h2-10H,1H3,(H,20,21);4,6H,1-3H2,(H,5,7)
InChIKeyDTWWCYZVFAIGIQ-UHFFFAOYSA-N
XLogP3.36
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.88
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 5330369
N-(3-chlorophenyl)-6-(5-ethyl-3-pyridinyl)pyrazin-2-amine
CID 58774159
N-[5-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl]-N',N'-dipropylpropane-1,3-diamine
CID 142130337
6-(2-methyl-4-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094690
2-N-(3-chlorophenyl)-6-N-propylpyrazine-2,6-diamine
CID 80760387
N-(3-chlorophenyl)-6-[5-(3-piperazin-1-ylpropylamino)-3-pyridinyl]pyrazin-2-amine
CID 5330378
[4-[6-(3-chloroanilino)pyrazin-2-yl]-3-pyridinyl] N,N-diethylcarbamate
CID 12986294
1-aminopropan-1-ol;4-[2-(3-chloroanilino)pyrimidin-4-yl]-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 19689591
N-[4-[6-(3-chloroanilino)pyrimidin-4-yl]-2-pyridinyl]-N',N'-dimethylpropane-1,3-diamine
CID 11257563
4-N-(3-chlorophenyl)-2-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887825
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689540
N-[3-[[4-(3-chloroanilino)-1H-pyrazolo[5,4-d]pyrimidin-3-yl]amino]propyl]formamide
CID 21190591

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide?
The IUPAC name of N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide (CID 142130325) is N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide is Cc1cc(-c2cncc(Nc3cccc(Cl)c3)n2)ccn1.O=CNCCCO.
What is the InChIKey of N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide?
The InChIKey is DTWWCYZVFAIGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4.C4H9NO2/c1-11-7-12(5-6-19-11)15-9-18-10-16(21-15)20-14-4-2-3-13(17)8-14;6-3-1-2-5-4-7/h2-10H,1H3,(H,20,21);4,6H,1-3H2,(H,5,7).
What are the key properties of N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide?
N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide has a molecular weight of 399.88 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(2-methyl-4-pyridinyl)pyrazin-2-amine;N-(3-hydroxypropyl)formamide is sourced from PubChem (CID 142130325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).