N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C26H29N5O3 — CID 160909894

IUPACN-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNc1ccnc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)c1
InChIInChI=1S/C26H29N5O3/c27-20-11-12-28-23(14-20)29-25(32)19-8-4-7-18(13-19)24(17-5-2-1-3-6-17)30-26(33)21-15-22(34-31-21)16-9-10-16/h4,7-8,11-17,24H,1-3,5-6,9-10H2,(H,30,33)(H3,27,28,29,32)
InChIKeyAUXVLGLANWKDHU-UHFFFAOYSA-N
MW459.55 g/mol
LogP4.83
Rot. Bonds7

About N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 160909894) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID160909894
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESNc1ccnc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)c1
InChIInChI=1S/C26H29N5O3/c27-20-11-12-28-23(14-20)29-25(32)19-8-4-7-18(13-19)24(17-5-2-1-3-6-17)30-26(33)21-15-22(34-31-21)16-9-10-16/h4,7-8,11-17,24H,1-3,5-6,9-10H2,(H,30,33)(H3,27,28,29,32)
InChIKeyAUXVLGLANWKDHU-UHFFFAOYSA-N
XLogP4.83
TPSA123.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

N-[(R)-cyclohexyl-[3-(phenylcarbamoyl)phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159250793
5-cyclopropyl-N-[piperidin-4-yl-[3-(pyrazin-2-ylcarbamoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 130188114
N-[cyclohexyl-[3-[3-(dimethylamino)propylcarbamoyl]phenyl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 160714667
5-cyclopropyl-N-[piperidin-4-yl-[3-(pyridine-3-carbonylamino)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 130188189
5-cyclopropyl-N-[[3-[3-(dimethylamino)propylcarbamoyl]phenyl]-piperidin-4-ylmethyl]-1,2-oxazole-3-carboxamide
CID 130188022
5-cyclopropyl-N-[piperidin-4-yl(pyridin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188139
N-[[3-[(4-aminocyclohexyl)oxymethyl]phenyl]-piperidin-4-ylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188056
5-cyclopropyl-N-(2-cyclopropyl-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 154778935
5-cyclopropyl-N-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 96997695
N-[3-bromo-4-(cyclohexylcarbamoyl)phenyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 159575423
3-amino-N-(1-cyclohexylethyl)benzamide
CID 62404995
N-(2-amino-2-phenylethyl)-5-cyclopropyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119529507

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 160909894) is N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is Nc1ccnc(NC(=O)c2cccc(C(NC(=O)c3cc(C4CC4)on3)C3CCCCC3)c2)c1.
What is the InChIKey of N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is AUXVLGLANWKDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c27-20-11-12-28-23(14-20)29-25(32)19-8-4-7-18(13-19)24(17-5-2-1-3-6-17)30-26(33)21-15-22(34-31-21)16-9-10-16/h4,7-8,11-17,24H,1-3,5-6,9-10H2,(H,30,33)(H3,27,28,29,32).
What are the key properties of N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 4.83, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-amino-2-pyridinyl)carbamoyl]phenyl]-cyclohexylmethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 160909894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).