N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide

C30H35N5O2 — CID 145020862

IUPACN-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide
SMILESCOCCN(c1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C30H35N5O2/c1-33-15-11-23(12-16-33)22-4-6-24(7-5-22)30(36)32-29-21-27(10-14-31-29)35(18-19-37-3)26-8-9-28-25(20-26)13-17-34(28)2/h4-10,13-14,17,20-21,23H,11-12,15-16,18-19H2,1-3H3,(H,31,32,36)
InChIKeyGBXHBTDCHQPXSC-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.42
Rot. Bonds8

About N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide

N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide (PubChem CID 145020862) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound NameN-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide
PubChem CID145020862
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide
SMILESCOCCN(c1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C30H35N5O2/c1-33-15-11-23(12-16-33)22-4-6-24(7-5-22)30(36)32-29-21-27(10-14-31-29)35(18-19-37-3)26-8-9-28-25(20-26)13-17-34(28)2/h4-10,13-14,17,20-21,23H,11-12,15-16,18-19H2,1-3H3,(H,31,32,36)
InChIKeyGBXHBTDCHQPXSC-UHFFFAOYSA-N
XLogP5.42
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide (CID 145020862) is N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide is COCCN(c1ccnc(NC(=O)c2ccc(C3CCN(C)CC3)cc2)c1)c1ccc2c(ccn2C)c1.
What is the InChIKey of N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is GBXHBTDCHQPXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-33-15-11-23(12-16-33)22-4-6-24(7-5-22)30(36)32-29-21-27(10-14-31-29)35(18-19-37-3)26-8-9-28-25(20-26)13-17-34(28)2/h4-10,13-14,17,20-21,23H,11-12,15-16,18-19H2,1-3H3,(H,31,32,36).
What are the key properties of N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide?
N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 497.64 g/mol, XLogP of 5.42, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methoxyethyl-(1-methylindol-5-yl)amino]-2-pyridinyl]-4-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 145020862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).