6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide

C19H21N5O2 — CID 118043235

IUPAC6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(c2ccc(C(N)=O)c(Nc3cccnc3)n2)CC1
InChIInChI=1S/C19H21N5O2/c1-2-17(25)24-10-7-13(8-11-24)16-6-5-15(18(20)26)19(23-16)22-14-4-3-9-21-12-14/h2-6,9,12-13H,1,7-8,10-11H2,(H2,20,26)(H,22,23)
InChIKeyOLUUOBSSEGBXPW-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.21
Rot. Bonds5

About 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide

6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide (PubChem CID 118043235) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide
PubChem CID118043235
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(c2ccc(C(N)=O)c(Nc3cccnc3)n2)CC1
InChIInChI=1S/C19H21N5O2/c1-2-17(25)24-10-7-13(8-11-24)16-6-5-15(18(20)26)19(23-16)22-14-4-3-9-21-12-14/h2-6,9,12-13H,1,7-8,10-11H2,(H2,20,26)(H,22,23)
InChIKeyOLUUOBSSEGBXPW-UHFFFAOYSA-N
XLogP2.21
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide (CID 118043235) is 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide is C=CC(=O)N1CCC(c2ccc(C(N)=O)c(Nc3cccnc3)n2)CC1.
What is the InChIKey of 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
The InChIKey is OLUUOBSSEGBXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-2-17(25)24-10-7-13(8-11-24)16-6-5-15(18(20)26)19(23-16)22-14-4-3-9-21-12-14/h2-6,9,12-13H,1,7-8,10-11H2,(H2,20,26)(H,22,23).
What are the key properties of 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide?
6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-prop-2-enoylpiperidin-4-yl)-2-(pyridin-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118043235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).