2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

C24H37ClN4O3 — CID 168791217

IUPAC2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESCC(C)(C)N1CCOC(CN(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)C1
InChIInChI=1S/C24H37ClN4O3/c1-24(2,3)28-12-13-32-20(16-28)17-29(21(30)14-25)22(18-8-7-11-26-15-18)23(31)27-19-9-5-4-6-10-19/h7-8,11,15,19-20,22H,4-6,9-10,12-14,16-17H2,1-3H3,(H,27,31)
InChIKeyBDPSUCQRSHKAHW-UHFFFAOYSA-N
MW465.04 g/mol
LogP3.14
Rot. Bonds7

About 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide

2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (PubChem CID 168791217) has the molecular formula C24H37ClN4O3 and a molecular weight of 465.04 g/mol. Its IUPAC name is 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
PubChem CID168791217
Molecular FormulaC24H37ClN4O3
Molecular Weight465.04 g/mol
Exact Mass464.26
IUPAC Name2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
SMILESCC(C)(C)N1CCOC(CN(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)C1
InChIInChI=1S/C24H37ClN4O3/c1-24(2,3)28-12-13-32-20(16-28)17-29(21(30)14-25)22(18-8-7-11-26-15-18)23(31)27-19-9-5-4-6-10-19/h7-8,11,15,19-20,22H,4-6,9-10,12-14,16-17H2,1-3H3,(H,27,31)
InChIKeyBDPSUCQRSHKAHW-UHFFFAOYSA-N
XLogP3.14
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.04
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloroacetyl)-[(2-methoxyphenyl)methyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4642657
2-[(2-chloroacetyl)-(1-phenylazetidin-3-yl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791171
2-[(2-chloroacetyl)-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 86809784
2-[(2-chloroacetyl)-[2-(3-chlorophenyl)ethyl]amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 162533663
2-[(2-chloroacetyl)-(oxolan-2-ylmethyl)amino]-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 86809846
N-butyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]pentanamide
CID 163155340
(2S)-2-(3-chloro-N-(2-chloroacetyl)anilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 92534555
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]but-2-ynamide
CID 166632953
2-[4-tert-butyl-N-(2-chloroacetyl)-2-(3-hydroxy-3-methylbut-1-ynyl)anilino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791153
N'-[(1R)-2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]-N'-(3-methylbutyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
CID 40624527
2-(4-tert-butyl-N-prop-2-ynylanilino)-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 168791167
N-[2-[benzyl-[2-(cyclopentylamino)-2-oxo-1-pyridin-3-ylethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 3211636

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide (CID 168791217) is 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is CC(C)(C)N1CCOC(CN(C(=O)CCl)C(C(=O)NC2CCCCC2)c2cccnc2)C1.
What is the InChIKey of 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
The InChIKey is BDPSUCQRSHKAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37ClN4O3/c1-24(2,3)28-12-13-32-20(16-28)17-29(21(30)14-25)22(18-8-7-11-26-15-18)23(31)27-19-9-5-4-6-10-19/h7-8,11,15,19-20,22H,4-6,9-10,12-14,16-17H2,1-3H3,(H,27,31).
What are the key properties of 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide?
2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide has a molecular weight of 465.04 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylmorpholin-2-yl)methyl-(2-chloroacetyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 168791217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).