2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide

C21H29N5O — CID 142792012

IUPAC2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide
SMILESNC(=O)C(CCc1ccncc1)(NCCC1CCNCC1)c1ccncc1
InChIInChI=1S/C21H29N5O/c22-20(27)21(19-7-14-25-15-8-19,9-1-17-2-10-23-11-3-17)26-16-6-18-4-12-24-13-5-18/h2-3,7-8,10-11,14-15,18,24,26H,1,4-6,9,12-13,16H2,(H2,22,27)
InChIKeyZKYHXDXKFAPELM-UHFFFAOYSA-N
MW367.50 g/mol
LogP1.77
Rot. Bonds9

About 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide

2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide (PubChem CID 142792012) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide.

Molecular Properties

Compound Name2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide
PubChem CID142792012
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide
SMILESNC(=O)C(CCc1ccncc1)(NCCC1CCNCC1)c1ccncc1
InChIInChI=1S/C21H29N5O/c22-20(27)21(19-7-14-25-15-8-19,9-1-17-2-10-23-11-3-17)26-16-6-18-4-12-24-13-5-18/h2-3,7-8,10-11,14-15,18,24,26H,1,4-6,9,12-13,16H2,(H2,22,27)
InChIKeyZKYHXDXKFAPELM-UHFFFAOYSA-N
XLogP1.77
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide?
The IUPAC name of 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide (CID 142792012) is 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide.
What is the SMILES notation for 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide?
The canonical SMILES for 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide is NC(=O)C(CCc1ccncc1)(NCCC1CCNCC1)c1ccncc1.
What is the InChIKey of 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide?
The InChIKey is ZKYHXDXKFAPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c22-20(27)21(19-7-14-25-15-8-19,9-1-17-2-10-23-11-3-17)26-16-6-18-4-12-24-13-5-18/h2-3,7-8,10-11,14-15,18,24,26H,1,4-6,9,12-13,16H2,(H2,22,27).
What are the key properties of 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide?
2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide has a molecular weight of 367.50 g/mol, XLogP of 1.77, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-ylethylamino)-2,4-dipyridin-4-ylbutanamide is sourced from PubChem (CID 142792012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).