N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide

C29H34N4O — CID 15491214

IUPACN-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide
SMILESCc1cc(C)c(-n2c3ccccc3c3c(N(CC4CC4)C(=O)CN(C)C)cc(C)nc32)c(C)c1
InChIInChI=1S/C29H34N4O/c1-18-13-19(2)28(20(3)14-18)33-24-10-8-7-9-23(24)27-25(15-21(4)30-29(27)33)32(16-22-11-12-22)26(34)17-31(5)6/h7-10,13-15,22H,11-12,16-17H2,1-6H3
InChIKeyOVOXQPHFJILLHN-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.72
Rot. Bonds6

About N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide

N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide (PubChem CID 15491214) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide
PubChem CID15491214
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC NameN-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide
SMILESCc1cc(C)c(-n2c3ccccc3c3c(N(CC4CC4)C(=O)CN(C)C)cc(C)nc32)c(C)c1
InChIInChI=1S/C29H34N4O/c1-18-13-19(2)28(20(3)14-18)33-24-10-8-7-9-23(24)27-25(15-21(4)30-29(27)33)32(16-22-11-12-22)26(34)17-31(5)6/h7-10,13-15,22H,11-12,16-17H2,1-6H3
InChIKeyOVOXQPHFJILLHN-UHFFFAOYSA-N
XLogP5.72
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide (CID 15491214) is N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide is Cc1cc(C)c(-n2c3ccccc3c3c(N(CC4CC4)C(=O)CN(C)C)cc(C)nc32)c(C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide?
The InChIKey is OVOXQPHFJILLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-18-13-19(2)28(20(3)14-18)33-24-10-8-7-9-23(24)27-25(15-21(4)30-29(27)33)32(16-22-11-12-22)26(34)17-31(5)6/h7-10,13-15,22H,11-12,16-17H2,1-6H3.
What are the key properties of N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide?
N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide has a molecular weight of 454.62 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-methyl-9-(2,4,6-trimethylphenyl)pyrido[2,3-b]indol-4-yl]acetamide is sourced from PubChem (CID 15491214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).