3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C29H31ClN4O3 — CID 77192181

IUPAC3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1ccc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)CC2)cn1
InChIInChI=1S/C29H31ClN4O3/c1-33(21-13-15-34(16-14-21)22-10-12-27(37-2)31-18-22)29(36)20-8-7-19-9-11-26(24(19)17-20)32-28(35)23-5-3-4-6-25(23)30/h3-8,10,12,17-18,21,26H,9,11,13-16H2,1-2H3,(H,32,35)
InChIKeyNWNCJPMQNHZWTK-UHFFFAOYSA-N
MW519.05 g/mol
LogP4.90
Rot. Bonds6

About 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 77192181) has the molecular formula C29H31ClN4O3 and a molecular weight of 519.05 g/mol. Its IUPAC name is 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID77192181
Molecular FormulaC29H31ClN4O3
Molecular Weight519.05 g/mol
Exact Mass518.21
IUPAC Name3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCOc1ccc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)CC2)cn1
InChIInChI=1S/C29H31ClN4O3/c1-33(21-13-15-34(16-14-21)22-10-12-27(37-2)31-18-22)29(36)20-8-7-19-9-11-26(24(19)17-20)32-28(35)23-5-3-4-6-25(23)30/h3-8,10,12,17-18,21,26H,9,11,13-16H2,1-2H3,(H,32,35)
InChIKeyNWNCJPMQNHZWTK-UHFFFAOYSA-N
XLogP4.90
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.05
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 77192181) is 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is COc1ccc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3ccccc3Cl)CC4)CC2)cn1.
What is the InChIKey of 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is NWNCJPMQNHZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O3/c1-33(21-13-15-34(16-14-21)22-10-12-27(37-2)31-18-22)29(36)20-8-7-19-9-11-26(24(19)17-20)32-28(35)23-5-3-4-6-25(23)30/h3-8,10,12,17-18,21,26H,9,11,13-16H2,1-2H3,(H,32,35).
What are the key properties of 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 519.05 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorobenzoyl)amino]-N-[1-(6-methoxy-3-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 77192181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).