N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C24H31N5O4 — CID 158988803

IUPACN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)C(=O)CCc2cccnc2)CC1
InChIInChI=1S/C24H31N5O4/c1-15(25)24(32)29-11-8-18(9-12-29)22(20(30)7-4-16-3-2-10-26-14-16)27-23(31)19-13-21(33-28-19)17-5-6-17/h2-3,10,13-15,17-18,22H,4-9,11-12,25H2,1H3,(H,27,31)/t15-,22?/m0/s1
InChIKeyJPXFHEXXIMQPFK-UEDXYCIISA-N
MW453.54 g/mol
LogP1.83
Rot. Bonds9

About N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 158988803) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID158988803
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC NameN-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)C(=O)CCc2cccnc2)CC1
InChIInChI=1S/C24H31N5O4/c1-15(25)24(32)29-11-8-18(9-12-29)22(20(30)7-4-16-3-2-10-26-14-16)27-23(31)19-13-21(33-28-19)17-5-6-17/h2-3,10,13-15,17-18,22H,4-9,11-12,25H2,1H3,(H,27,31)/t15-,22?/m0/s1
InChIKeyJPXFHEXXIMQPFK-UEDXYCIISA-N
XLogP1.83
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

methyl 2-[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetate
CID 130188161
N-[1-[1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]ethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188112
N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188190
N-[1-[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]piperidin-4-yl]-2-propan-2-yloxyethyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 130188195
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-pyridin-3-ylpropanamide
CID 169260123
5-cyclopropyl-N-[(2R)-2-pyridin-3-yloxypropyl]-1,2-oxazole-3-carboxamide
CID 126441100
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
[4-[4-[[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]methyl]piperidin-1-yl]-3-methyl-4-oxobutan-2-yl]carbamic acid
CID 118948589
3-[1-[(2R)-2-amino-3-(3H-inden-1-yl)propanoyl]piperidin-4-yl]-1-(5-cyclopropyl-1,2-oxazol-3-yl)butan-1-one
CID 157066593

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 158988803) is N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is C[C@H](N)C(=O)N1CCC(C(NC(=O)c2cc(C3CC3)on2)C(=O)CCc2cccnc2)CC1.
What is the InChIKey of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is JPXFHEXXIMQPFK-UEDXYCIISA-N. The full InChI is InChI=1S/C24H31N5O4/c1-15(25)24(32)29-11-8-18(9-12-29)22(20(30)7-4-16-3-2-10-26-14-16)27-23(31)19-13-21(33-28-19)17-5-6-17/h2-3,10,13-15,17-18,22H,4-9,11-12,25H2,1H3,(H,27,31)/t15-,22?/m0/s1.
What are the key properties of N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]-2-oxo-4-pyridin-3-ylbutyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 158988803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).