N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide

C28H38N4O2 — CID 132516828

IUPACN-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(-c2cc(C(=O)N[C@@H](C)C3CCCCC3)ccn2)c1)C1CCCCC1
InChIInChI=1S/C28H38N4O2/c1-19(21-9-5-3-6-10-21)31-27(33)23-13-15-29-25(17-23)26-18-24(14-16-30-26)28(34)32-20(2)22-11-7-4-8-12-22/h13-22H,3-12H2,1-2H3,(H,31,33)(H,32,34)/t19-,20-/m0/s1
InChIKeyHCGDRGJBEJUTQR-PMACEKPBSA-N
MW462.64 g/mol
LogP5.54
Rot. Bonds7

About N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide

N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide (PubChem CID 132516828) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
PubChem CID132516828
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC NameN-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(-c2cc(C(=O)N[C@@H](C)C3CCCCC3)ccn2)c1)C1CCCCC1
InChIInChI=1S/C28H38N4O2/c1-19(21-9-5-3-6-10-21)31-27(33)23-13-15-29-25(17-23)26-18-24(14-16-30-26)28(34)32-20(2)22-11-7-4-8-12-22/h13-22H,3-12H2,1-2H3,(H,31,33)(H,32,34)/t19-,20-/m0/s1
InChIKeyHCGDRGJBEJUTQR-PMACEKPBSA-N
XLogP5.54
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-(1-cyclohexylethyl)-2-fluoropyridine-4-carboxamide
CID 55069124
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
2-[4-[[(1R)-1-cyclohexylethyl]carbamoyl]-5-hydroxy-6-oxo-1H-pyrimidin-2-yl]pyridine-4-carboxylic acid
CID 137296976
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
N-(1-cyclohexylethyl)-5-hydroxypyridine-3-carboxamide
CID 55256172

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide (CID 132516828) is N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccnc(-c2cc(C(=O)N[C@@H](C)C3CCCCC3)ccn2)c1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
The InChIKey is HCGDRGJBEJUTQR-PMACEKPBSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-19(21-9-5-3-6-10-21)31-27(33)23-13-15-29-25(17-23)26-18-24(14-16-30-26)28(34)32-20(2)22-11-7-4-8-12-22/h13-22H,3-12H2,1-2H3,(H,31,33)(H,32,34)/t19-,20-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide?
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide has a molecular weight of 462.64 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 132516828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).