3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol

C19H21N5O2 — CID 5330360

IUPAC3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
SMILESCOc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24)
InChIKeyTYOTYOPLSRQPGK-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.09
Rot. Bonds8

About 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol

3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol (PubChem CID 5330360) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
PubChem CID5330360
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol
SMILESCOc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1
InChIInChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24)
InChIKeyTYOTYOPLSRQPGK-UHFFFAOYSA-N
XLogP3.09
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Bms-690514
CID 11349170
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
2,4-Disubstituted Pyrimidine 2f
CID 5329419
N*1*-{5-[2-(3,4,5-Trimethoxy-phenylamino)-pyrimidin-4-yl]-pyridin-2-yl}-ethane-1,2-diamine
CID 15550318
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
6-(pyridin-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879140
N-(3-Methoxyphenyl)-1-(pyrazin-2-YL)piperidine-4-carboxamide
CID 23609099
1-(4-Methoxy-3,5-dimethylbenzyl)-4-(3-(ethylamino)-2-pyridyl)piperazine hydrochloride
CID 196882
4-(6,7-Dimethoxy-quinoxalin-2-ylamino)-cyclohexanol
CID 9796455
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
Benzyl-(6,7-dimethoxy-quinoxalin-2-yl)-amine
CID 9839107

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The IUPAC name of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol (CID 5330360) is 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol is COc1cccc(Nc2cncc(-c3cncc(NCCCO)c3)n2)c1.
What is the InChIKey of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
The InChIKey is TYOTYOPLSRQPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-26-17-5-2-4-15(9-17)23-19-13-21-12-18(24-19)14-8-16(11-20-10-14)22-6-3-7-25/h2,4-5,8-13,22,25H,3,6-7H2,1H3,(H,23,24).
What are the key properties of 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol?
3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol has a molecular weight of 351.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[6-(3-methoxyanilino)pyrazin-2-yl]-3-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 5330360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).