3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile

C19H20N4O — CID 167350661

IUPAC3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NCC(C)(C)O
InChIInChI=1S/C19H20N4O/c1-12-16(22-11-19(2,3)24)7-8-17(23-12)15-10-21-18-13(9-20)5-4-6-14(15)18/h4-8,10,21-22,24H,11H2,1-3H3
InChIKeyKGDPYYBWTRMBQX-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.59
Rot. Bonds4

About 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile

3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile (PubChem CID 167350661) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
PubChem CID167350661
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile
SMILESCc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NCC(C)(C)O
InChIInChI=1S/C19H20N4O/c1-12-16(22-11-19(2,3)24)7-8-17(23-12)15-10-21-18-13(9-20)5-4-6-14(15)18/h4-8,10,21-22,24H,11H2,1-3H3
InChIKeyKGDPYYBWTRMBQX-UHFFFAOYSA-N
XLogP3.59
TPSA84.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile?
The IUPAC name of 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile (CID 167350661) is 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile.
What is the SMILES notation for 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile?
The canonical SMILES for 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile is Cc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NCC(C)(C)O.
What is the InChIKey of 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile?
The InChIKey is KGDPYYBWTRMBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-16(22-11-19(2,3)24)7-8-17(23-12)15-10-21-18-13(9-20)5-4-6-14(15)18/h4-8,10,21-22,24H,11H2,1-3H3.
What are the key properties of 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile?
3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile has a molecular weight of 320.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2-hydroxy-2-methylpropyl)amino]-6-methyl-2-pyridinyl]-1H-indole-7-carbonitrile is sourced from PubChem (CID 167350661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).