N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide

C26H30N4O — CID 58396936

IUPACN-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)C2CCCCC2)cc1Cc1ncccc1-c1ccncn1
InChIInChI=1S/C26H30N4O/c1-18-10-11-21(26(31)30-19(2)20-7-4-3-5-8-20)15-22(18)16-25-23(9-6-13-28-25)24-12-14-27-17-29-24/h6,9-15,17,19-20H,3-5,7-8,16H2,1-2H3,(H,30,31)/t19-/m0/s1
InChIKeyITRVZASXMOFIRL-IBGZPJMESA-N
MW414.55 g/mol
LogP5.14
Rot. Bonds6

About N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide

N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide (PubChem CID 58396936) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
PubChem CID58396936
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC NameN-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)C2CCCCC2)cc1Cc1ncccc1-c1ccncn1
InChIInChI=1S/C26H30N4O/c1-18-10-11-21(26(31)30-19(2)20-7-4-3-5-8-20)15-22(18)16-25-23(9-6-13-28-25)24-12-14-27-17-29-24/h6,9-15,17,19-20H,3-5,7-8,16H2,1-2H3,(H,30,31)/t19-/m0/s1
InChIKeyITRVZASXMOFIRL-IBGZPJMESA-N
XLogP5.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide with MolForge

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Related Compounds

3-methyl-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]phenyl]cyclohexane-1-carboxamide
CID 58396398
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828
4-chloro-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58396685
N-(1-cyclohexylethyl)-2-(methylamino)pyridine-3-carboxamide
CID 62405131
N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
N-[(1R)-1-cyclohexylethyl]-5-methyl-6-(pyridin-4-ylmethoxy)pyridine-3-carboxamide
CID 58368059
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-(3-aminoprop-1-ynyl)-N-(1-cyclopentylethyl)-4-methylbenzamide
CID 81460592
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
3-amino-N-(1-cyclopropylethyl)-4-methylbenzamide
CID 43533090
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide (CID 58396936) is N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide is Cc1ccc(C(=O)N[C@@H](C)C2CCCCC2)cc1Cc1ncccc1-c1ccncn1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
The InChIKey is ITRVZASXMOFIRL-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N4O/c1-18-10-11-21(26(31)30-19(2)20-7-4-3-5-8-20)15-22(18)16-25-23(9-6-13-28-25)24-12-14-27-17-29-24/h6,9-15,17,19-20H,3-5,7-8,16H2,1-2H3,(H,30,31)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide?
N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide has a molecular weight of 414.55 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)methyl]benzamide is sourced from PubChem (CID 58396936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).