[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol

C18H22N4O2 — CID 70677263

IUPAC[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
InChIInChI=1S/C18H22N4O2/c1-3-4-8-20-18-16(22-14-7-5-6-9-19-14)15-13(11-23)10-21-12(2)17(15)24-18/h5-7,9-10,20,23H,3-4,8,11H2,1-2H3,(H,19,22)
InChIKeyHPOVZKINFZDUHI-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.98
Rot. Bonds7

About [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol

[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol (PubChem CID 70677263) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
PubChem CID70677263
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
SMILESCCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1
InChIInChI=1S/C18H22N4O2/c1-3-4-8-20-18-16(22-14-7-5-6-9-19-14)15-13(11-23)10-21-12(2)17(15)24-18/h5-7,9-10,20,23H,3-4,8,11H2,1-2H3,(H,19,22)
InChIKeyHPOVZKINFZDUHI-UHFFFAOYSA-N
XLogP3.98
TPSA83.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,4-dimethyl-8-propyl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 665947
4,4,8-trimethyl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaen-13-amine
CID 666753
4,4-dimethyl-8-propan-2-yl-N-(pyridin-2-ylmethyl)-5,11-dioxa-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 667330
[3-(3-Fluoroanilino)-7-methyl-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677538
[7-Methyl-3-(3-nitroanilino)-2-(pentylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677539
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(1,3-oxazol-2-yl)-2-pyridinyl]methanone
CID 90405678
[2-(Cyclohexylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70676948
[2-(Benzylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70676950
[2-(Benzylamino)-7-methyl-3-(pyrazin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677104
[3-Anilino-2-(benzylamino)-7-methylfuro[2,3-c]pyridin-4-yl]methanol
CID 70677106
[2-[6-[[4-(Hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677107
[7-Methyl-2-(pentylamino)-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
CID 70677264

Frequently Asked Questions

What is the IUPAC name of [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The IUPAC name of [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol (CID 70677263) is [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol.
What is the SMILES notation for [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The canonical SMILES for [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol is CCCCNc1oc2c(C)ncc(CO)c2c1Nc1ccccn1.
What is the InChIKey of [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
The InChIKey is HPOVZKINFZDUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-4-8-20-18-16(22-14-7-5-6-9-19-14)15-13(11-23)10-21-12(2)17(15)24-18/h5-7,9-10,20,23H,3-4,8,11H2,1-2H3,(H,19,22).
What are the key properties of [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol?
[2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol has a molecular weight of 326.40 g/mol, XLogP of 3.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(butylamino)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol is sourced from PubChem (CID 70677263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).