4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide

C32H39N5O2 — CID 145020757

IUPAC4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3cc(N(CCCOC)c4ccc5c(ccn5C)c4)ccn3)cc2)CC1
InChIInChI=1S/C32H39N5O2/c1-4-36-19-14-25(15-20-36)24-6-8-26(9-7-24)32(38)34-31-23-29(12-16-33-31)37(17-5-21-39-3)28-10-11-30-27(22-28)13-18-35(30)2/h6-13,16,18,22-23,25H,4-5,14-15,17,19-21H2,1-3H3,(H,33,34,38)
InChIKeyUIOGASBHOFPEBC-UHFFFAOYSA-N
MW525.70 g/mol
LogP6.20
Rot. Bonds10

About 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide

4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide (PubChem CID 145020757) has the molecular formula C32H39N5O2 and a molecular weight of 525.70 g/mol. Its IUPAC name is 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide
PubChem CID145020757
Molecular FormulaC32H39N5O2
Molecular Weight525.70 g/mol
Exact Mass525.31
IUPAC Name4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide
SMILESCCN1CCC(c2ccc(C(=O)Nc3cc(N(CCCOC)c4ccc5c(ccn5C)c4)ccn3)cc2)CC1
InChIInChI=1S/C32H39N5O2/c1-4-36-19-14-25(15-20-36)24-6-8-26(9-7-24)32(38)34-31-23-29(12-16-33-31)37(17-5-21-39-3)28-10-11-30-27(22-28)13-18-35(30)2/h6-13,16,18,22-23,25H,4-5,14-15,17,19-21H2,1-3H3,(H,33,34,38)
InChIKeyUIOGASBHOFPEBC-UHFFFAOYSA-N
XLogP6.20
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.70
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide?
The IUPAC name of 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide (CID 145020757) is 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide.
What is the SMILES notation for 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide?
The canonical SMILES for 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide is CCN1CCC(c2ccc(C(=O)Nc3cc(N(CCCOC)c4ccc5c(ccn5C)c4)ccn3)cc2)CC1.
What is the InChIKey of 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide?
The InChIKey is UIOGASBHOFPEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N5O2/c1-4-36-19-14-25(15-20-36)24-6-8-26(9-7-24)32(38)34-31-23-29(12-16-33-31)37(17-5-21-39-3)28-10-11-30-27(22-28)13-18-35(30)2/h6-13,16,18,22-23,25H,4-5,14-15,17,19-21H2,1-3H3,(H,33,34,38).
What are the key properties of 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide?
4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide has a molecular weight of 525.70 g/mol, XLogP of 6.20, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpiperidin-4-yl)-N-[4-[3-methoxypropyl-(1-methylindol-5-yl)amino]-2-pyridinyl]benzamide is sourced from PubChem (CID 145020757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).