N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide

C27H34N4O2 — CID 73295308

IUPACN-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N(C)CC3CC3)nc2)CCN(C)C1
InChIInChI=1S/C27H34N4O2/c1-18-5-10-24-21(13-18)22-16-29(3)12-11-25(22)31(24)17-27(2,33)20-8-9-23(28-14-20)26(32)30(4)15-19-6-7-19/h5,8-10,13-14,19,33H,6-7,11-12,15-17H2,1-4H3
InChIKeyKLGQZNKLYHHJPB-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.72
Rot. Bonds6

About N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide

N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide (PubChem CID 73295308) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide
PubChem CID73295308
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide
SMILESCc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N(C)CC3CC3)nc2)CCN(C)C1
InChIInChI=1S/C27H34N4O2/c1-18-5-10-24-21(13-18)22-16-29(3)12-11-25(22)31(24)17-27(2,33)20-8-9-23(28-14-20)26(32)30(4)15-19-6-7-19/h5,8-10,13-14,19,33H,6-7,11-12,15-17H2,1-4H3
InChIKeyKLGQZNKLYHHJPB-UHFFFAOYSA-N
XLogP3.72
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide (CID 73295308) is N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide is Cc1ccc2c(c1)c1c(n2CC(C)(O)c2ccc(C(=O)N(C)CC3CC3)nc2)CCN(C)C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is KLGQZNKLYHHJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18-5-10-24-21(13-18)22-16-29(3)12-11-25(22)31(24)17-27(2,33)20-8-9-23(28-14-20)26(32)30(4)15-19-6-7-19/h5,8-10,13-14,19,33H,6-7,11-12,15-17H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide?
N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 446.60 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[1-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-hydroxypropan-2-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 73295308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).