N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide

C22H21N5O2 — CID 53234705

IUPACN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)c3ccnc(-c4ccncc4)c3)cc2)CO1
InChIInChI=1S/C22H21N5O2/c23-22-27-19(14-29-22)6-3-15-1-4-18(5-2-15)26-21(28)17-9-12-25-20(13-17)16-7-10-24-11-8-16/h1-2,4-5,7-13,19H,3,6,14H2,(H2,23,27)(H,26,28)/t19-/m0/s1
InChIKeyFTGLARJMHWDODV-IBGZPJMESA-N
MW387.44 g/mol
LogP3.04
Rot. Bonds6

About N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide

N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide (PubChem CID 53234705) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide
PubChem CID53234705
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC NameN-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide
SMILESNC1=N[C@@H](CCc2ccc(NC(=O)c3ccnc(-c4ccncc4)c3)cc2)CO1
InChIInChI=1S/C22H21N5O2/c23-22-27-19(14-29-22)6-3-15-1-4-18(5-2-15)26-21(28)17-9-12-25-20(13-17)16-7-10-24-11-8-16/h1-2,4-5,7-13,19H,3,6,14H2,(H2,23,27)(H,26,28)/t19-/m0/s1
InChIKeyFTGLARJMHWDODV-IBGZPJMESA-N
XLogP3.04
TPSA102.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-chloropyridine-2-carboxamide
CID 76747754
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-1-pyridin-4-ylcyclopropane-1-carboxamide
CID 58256334
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58256445
1-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-3-(3,4-dichlorophenyl)urea
CID 67156315
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3,5-difluoropyridine-2-carboxamide
CID 53235485
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2,6-dichloropyridine-4-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethylpyridine-2-carboxamide
CID 159295655
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 53234710
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 58256317
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 67151584
N-[4-[2-(2-amino-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-chloro-3-fluoropyridine-2-carboxamide
CID 76747740
1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(3-chlorophenyl)urea;1-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-3-(4-fluorophenyl)urea
CID 158052745
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-6-chloropyridazine-3-carboxamide;N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 87287928

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide (CID 53234705) is N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide is NC1=N[C@@H](CCc2ccc(NC(=O)c3ccnc(-c4ccncc4)c3)cc2)CO1.
What is the InChIKey of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide?
The InChIKey is FTGLARJMHWDODV-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N5O2/c23-22-27-19(14-29-22)6-3-15-1-4-18(5-2-15)26-21(28)17-9-12-25-20(13-17)16-7-10-24-11-8-16/h1-2,4-5,7-13,19H,3,6,14H2,(H2,23,27)(H,26,28)/t19-/m0/s1.
What are the key properties of N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide?
N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4S)-2-amino-4,5-dihydro-1,3-oxazol-4-yl]ethyl]phenyl]-2-pyridin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 53234705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).