1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

C24H28ClN5O2 — CID 10095455

IUPAC1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H28ClN5O2/c1-16(2)29-11-9-19(10-12-29)27-24(32)21-13-17-5-3-4-6-20(17)30(21)15-23(31)28-22-8-7-18(25)14-26-22/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,27,32)(H,26,28,31)
InChIKeyILRJJEMRKWAJMZ-UHFFFAOYSA-N
MW453.97 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide

1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 10095455) has the molecular formula C24H28ClN5O2 and a molecular weight of 453.97 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
PubChem CID10095455
Molecular FormulaC24H28ClN5O2
Molecular Weight453.97 g/mol
Exact Mass453.19
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H28ClN5O2/c1-16(2)29-11-9-19(10-12-29)27-24(32)21-13-17-5-3-4-6-20(17)30(21)15-23(31)28-22-8-7-18(25)14-26-22/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,27,32)(H,26,28,31)
InChIKeyILRJJEMRKWAJMZ-UHFFFAOYSA-N
XLogP3.93
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.97
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide (CID 10095455) is 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
The InChIKey is ILRJJEMRKWAJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O2/c1-16(2)29-11-9-19(10-12-29)27-24(32)21-13-17-5-3-4-6-20(17)30(21)15-23(31)28-22-8-7-18(25)14-26-22/h3-8,13-14,16,19H,9-12,15H2,1-2H3,(H,27,32)(H,26,28,31).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide?
1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 453.97 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 10095455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).