N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide

C22H30N4O — CID 98136069

IUPACN-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
SMILESCN(C)[C@H](c1ccccn1)C1CCC(CNC(=O)Cc2cccnc2)CC1
InChIInChI=1S/C22H30N4O/c1-26(2)22(20-7-3-4-13-24-20)19-10-8-17(9-11-19)16-25-21(27)14-18-6-5-12-23-15-18/h3-7,12-13,15,17,19,22H,8-11,14,16H2,1-2H3,(H,25,27)/t17?,19?,22-/m0/s1
InChIKeyHFBNROMBRVZSAM-FQVRHNBASA-N
MW366.51 g/mol
LogP3.24
Rot. Bonds7

About N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide

N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide (PubChem CID 98136069) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
PubChem CID98136069
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
SMILESCN(C)[C@H](c1ccccn1)C1CCC(CNC(=O)Cc2cccnc2)CC1
InChIInChI=1S/C22H30N4O/c1-26(2)22(20-7-3-4-13-24-20)19-10-8-17(9-11-19)16-25-21(27)14-18-6-5-12-23-15-18/h3-7,12-13,15,17,19,22H,8-11,14,16H2,1-2H3,(H,25,27)/t17?,19?,22-/m0/s1
InChIKeyHFBNROMBRVZSAM-FQVRHNBASA-N
XLogP3.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 110241959
N-[[4-[(R)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(2-fluorophenyl)acetamide
CID 98136078
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 110241906
4-methyl-N-[[4-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167992062
N-[[4-[acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-(4-methylphenyl)acetamide
CID 110241919
N-(2-methoxy-1-pyridin-2-ylethyl)-2-pyridin-3-ylacetamide
CID 91774617
N-[[4-[dimethylamino(thiophen-2-yl)methyl]cyclohexyl]methyl]-2-thiophen-2-ylacetamide
CID 66994303
N-[(S)-[4-(acetamidomethyl)cyclohexyl]-pyridin-2-ylmethyl]-2-(3-fluorophenyl)acetamide
CID 98136163
N-[[4-[(R)-acetamido(pyridin-2-yl)methyl]cyclohexyl]methyl]-3-methylbutanamide
CID 98135945
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-[[4-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)cyclohexyl]methyl]-2-pyridin-3-ylacetamide
CID 98076083

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide (CID 98136069) is N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide is CN(C)[C@H](c1ccccn1)C1CCC(CNC(=O)Cc2cccnc2)CC1.
What is the InChIKey of N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide?
The InChIKey is HFBNROMBRVZSAM-FQVRHNBASA-N. The full InChI is InChI=1S/C22H30N4O/c1-26(2)22(20-7-3-4-13-24-20)19-10-8-17(9-11-19)16-25-21(27)14-18-6-5-12-23-15-18/h3-7,12-13,15,17,19,22H,8-11,14,16H2,1-2H3,(H,25,27)/t17?,19?,22-/m0/s1.
What are the key properties of N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide?
N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide has a molecular weight of 366.51 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(S)-dimethylamino(pyridin-2-yl)methyl]cyclohexyl]methyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 98136069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).