(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

C26H34N4O2 — CID 174679771

IUPAC(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCCC(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21
InChIInChI=1S/C26H34N4O2/c1-3-4-5-25(31)28-24-9-8-19-6-7-20(18-23(19)24)26(32)29(2)21-12-16-30(17-13-21)22-10-14-27-15-11-22/h6-7,10-11,14-15,18,21,24H,3-5,8-9,12-13,16-17H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyPQRJTEAIHNHMHT-XMMPIXPASA-N
MW434.58 g/mol
LogP4.12
Rot. Bonds7

About (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide

(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 174679771) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID174679771
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCCCC(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21
InChIInChI=1S/C26H34N4O2/c1-3-4-5-25(31)28-24-9-8-19-6-7-20(18-23(19)24)26(32)29(2)21-12-16-30(17-13-21)22-10-14-27-15-11-22/h6-7,10-11,14-15,18,21,24H,3-5,8-9,12-13,16-17H2,1-2H3,(H,28,31)/t24-/m1/s1
InChIKeyPQRJTEAIHNHMHT-XMMPIXPASA-N
XLogP4.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide (CID 174679771) is (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is CCCCC(=O)N[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21.
What is the InChIKey of (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is PQRJTEAIHNHMHT-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N4O2/c1-3-4-5-25(31)28-24-9-8-19-6-7-20(18-23(19)24)26(32)29(2)21-12-16-30(17-13-21)22-10-14-27-15-11-22/h6-7,10-11,14-15,18,21,24H,3-5,8-9,12-13,16-17H2,1-2H3,(H,28,31)/t24-/m1/s1.
What are the key properties of (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 434.58 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 174679771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).