N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde

C28H37N5O3 — CID 156893615

IUPACN-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
SMILESCc1c[nH]c2cc(N(C)C(C(=O)NC3CCCCC3)c3cccnc3)ccc12.O=CC1CC(O)CN1
InChIInChI=1S/C23H28N4O.C5H9NO2/c1-16-14-25-21-13-19(10-11-20(16)21)27(2)22(17-7-6-12-24-15-17)23(28)26-18-8-4-3-5-9-18;7-3-4-1-5(8)2-6-4/h6-7,10-15,18,22,25H,3-5,8-9H2,1-2H3,(H,26,28);3-6,8H,1-2H2
InChIKeyIMXCGMJHTBBATG-UHFFFAOYSA-N
MW491.64 g/mol
LogP3.41
Rot. Bonds6

About N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde

N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde (PubChem CID 156893615) has the molecular formula C28H37N5O3 and a molecular weight of 491.64 g/mol. Its IUPAC name is N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde.

Molecular Properties

Compound NameN-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
PubChem CID156893615
Molecular FormulaC28H37N5O3
Molecular Weight491.64 g/mol
Exact Mass491.29
IUPAC NameN-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
SMILESCc1c[nH]c2cc(N(C)C(C(=O)NC3CCCCC3)c3cccnc3)ccc12.O=CC1CC(O)CN1
InChIInChI=1S/C23H28N4O.C5H9NO2/c1-16-14-25-21-13-19(10-11-20(16)21)27(2)22(17-7-6-12-24-15-17)23(28)26-18-8-4-3-5-9-18;7-3-4-1-5(8)2-6-4/h6-7,10-15,18,22,25H,3-5,8-9H2,1-2H3,(H,26,28);3-6,8H,1-2H2
InChIKeyIMXCGMJHTBBATG-UHFFFAOYSA-N
XLogP3.41
TPSA110.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.64
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxypyrrolidine-2-carbaldehyde;N-methylcyclohexanamine;2-[methyl-(2-methyl-3H-benzimidazol-5-yl)amino]-2-pyridin-3-ylacetaldehyde
CID 156892875
2-(4-tert-butyl-N-methylanilino)-2-(4-cyano-3-pyridinyl)-N-cyclohexylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
CID 156892886
N-(4,4-difluorocyclohexyl)-2-(5-fluoro-3-pyridinyl)-2-[methyl-(3-methyl-1H-indol-6-yl)amino]acetamide;2-formyl-4-hydroxypyrrolidine-1-carbonitrile
CID 156893541
2-(4-tert-butyl-N-methylanilino)-N-(4,4-difluorocyclohexyl)-2-pyrazin-2-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde
CID 156893633
N-cyclohexyl-2-(4-cyclopropyl-3-fluoro-N-methylanilino)-2-pyridin-3-ylacetamide;2-formyl-4-hydroxypyrrolidine-1-carbonitrile
CID 156892625
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide;2-formyl-3-hydroxyazetidine-1-carbonitrile
CID 156894115
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 155530877
(2S)-N-cyclohexyl-2-(4-ethyl-N-[2-(1H-indol-3-yl)acetyl]anilino)-2-pyridin-3-ylacetamide
CID 25309220
2-(4-tert-butyl-N-methylanilino)-N-cyclohexyl-2-[5-(trifluoromethyl)-3-pyridinyl]acetamide;pyrrolidine-2-carbaldehyde
CID 156892717
N-(2,6-dimethyloxan-4-yl)-2-[N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-2-pyridin-3-ylacetamide
CID 156893809
2-[2-chloro-N-methyl-4-(pentafluoro-λ6-sulfanyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 156893829

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde?
The IUPAC name of N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde (CID 156893615) is N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde.
What is the SMILES notation for N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde?
The canonical SMILES for N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde is Cc1c[nH]c2cc(N(C)C(C(=O)NC3CCCCC3)c3cccnc3)ccc12.O=CC1CC(O)CN1.
What is the InChIKey of N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde?
The InChIKey is IMXCGMJHTBBATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O.C5H9NO2/c1-16-14-25-21-13-19(10-11-20(16)21)27(2)22(17-7-6-12-24-15-17)23(28)26-18-8-4-3-5-9-18;7-3-4-1-5(8)2-6-4/h6-7,10-15,18,22,25H,3-5,8-9H2,1-2H3,(H,26,28);3-6,8H,1-2H2.
What are the key properties of N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde?
N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde has a molecular weight of 491.64 g/mol, XLogP of 3.41, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[methyl-(3-methyl-1H-indol-6-yl)amino]-2-pyridin-3-ylacetamide;4-hydroxypyrrolidine-2-carbaldehyde is sourced from PubChem (CID 156893615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).