6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide

C25H33N5O3 — CID 118918477

IUPAC6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Nc2cccc(C(=O)NCC(O)CNC3Cc4ccccc4C3)n2)CC1
InChIInChI=1S/C25H33N5O3/c1-17(31)30-11-9-20(10-12-30)28-24-8-4-7-23(29-24)25(33)27-16-22(32)15-26-21-13-18-5-2-3-6-19(18)14-21/h2-8,20-22,26,32H,9-16H2,1H3,(H,27,33)(H,28,29)
InChIKeyPQRDMPDFSKWSDQ-UHFFFAOYSA-N
MW451.57 g/mol
LogP1.35
Rot. Bonds8

About 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide

6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide (PubChem CID 118918477) has the molecular formula C25H33N5O3 and a molecular weight of 451.57 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide
PubChem CID118918477
Molecular FormulaC25H33N5O3
Molecular Weight451.57 g/mol
Exact Mass451.26
IUPAC Name6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide
SMILESCC(=O)N1CCC(Nc2cccc(C(=O)NCC(O)CNC3Cc4ccccc4C3)n2)CC1
InChIInChI=1S/C25H33N5O3/c1-17(31)30-11-9-20(10-12-30)28-24-8-4-7-23(29-24)25(33)27-16-22(32)15-26-21-13-18-5-2-3-6-19(18)14-21/h2-8,20-22,26,32H,9-16H2,1H3,(H,27,33)(H,28,29)
InChIKeyPQRDMPDFSKWSDQ-UHFFFAOYSA-N
XLogP1.35
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide (CID 118918477) is 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide is CC(=O)N1CCC(Nc2cccc(C(=O)NCC(O)CNC3Cc4ccccc4C3)n2)CC1.
What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide?
The InChIKey is PQRDMPDFSKWSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O3/c1-17(31)30-11-9-20(10-12-30)28-24-8-4-7-23(29-24)25(33)27-16-22(32)15-26-21-13-18-5-2-3-6-19(18)14-21/h2-8,20-22,26,32H,9-16H2,1H3,(H,27,33)(H,28,29).
What are the key properties of 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide?
6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide has a molecular weight of 451.57 g/mol, XLogP of 1.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 118918477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).