6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide

C19H21N5O2 — CID 66888945

IUPAC6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H21N5O2/c20-18(26)16-8-11(15-10-22-19-14(15)2-1-7-21-19)9-17(24-16)23-12-3-5-13(25)6-4-12/h1-2,7-10,12-13,25H,3-6H2,(H2,20,26)(H,21,22)(H,23,24)
InChIKeyUAAKAFFQYXZYAW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.44
Rot. Bonds4

About 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide

6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide (PubChem CID 66888945) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide
PubChem CID66888945
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1
InChIInChI=1S/C19H21N5O2/c20-18(26)16-8-11(15-10-22-19-14(15)2-1-7-21-19)9-17(24-16)23-12-3-5-13(25)6-4-12/h1-2,7-10,12-13,25H,3-6H2,(H2,20,26)(H,21,22)(H,23,24)
InChIKeyUAAKAFFQYXZYAW-UHFFFAOYSA-N
XLogP2.44
TPSA116.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide?
The IUPAC name of 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide (CID 66888945) is 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide is NC(=O)c1cc(-c2c[nH]c3ncccc23)cc(NC2CCC(O)CC2)n1.
What is the InChIKey of 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide?
The InChIKey is UAAKAFFQYXZYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c20-18(26)16-8-11(15-10-22-19-14(15)2-1-7-21-19)9-17(24-16)23-12-3-5-13(25)6-4-12/h1-2,7-10,12-13,25H,3-6H2,(H2,20,26)(H,21,22)(H,23,24).
What are the key properties of 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide?
6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxycyclohexyl)amino]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 66888945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).