N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

C23H29N3O2 — CID 126425817

IUPACN-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cnc(C)c(-c2ccc(C(=O)N(CC3CCC3)C[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C23H29N3O2/c1-16-13-24-17(2)22(25-16)19-8-10-20(11-9-19)23(27)26(14-18-5-3-6-18)15-21-7-4-12-28-21/h8-11,13,18,21H,3-7,12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyJJKJXNUUBLUITO-NRFANRHFSA-N
MW379.50 g/mol
LogP4.18
Rot. Bonds6

About N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide

N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 126425817) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID126425817
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESCc1cnc(C)c(-c2ccc(C(=O)N(CC3CCC3)C[C@@H]3CCCO3)cc2)n1
InChIInChI=1S/C23H29N3O2/c1-16-13-24-17(2)22(25-16)19-8-10-20(11-9-19)23(27)26(14-18-5-3-6-18)15-21-7-4-12-28-21/h8-11,13,18,21H,3-7,12,14-15H2,1-2H3/t21-/m0/s1
InChIKeyJJKJXNUUBLUITO-NRFANRHFSA-N
XLogP4.18
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-3-(4,6-dimethylpyrimidin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 125168586
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-(cyclobutylmethyl)-2-(ethylamino)-N-[[(2S)-oxolan-2-yl]methyl]pyrimidine-5-carboxamide
CID 97147899
N-(cyclobutylmethyl)-N-(oxolan-2-ylmethyl)-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 74234326
N-ethyl-4-(5-ethyl-2-methylpyrimidin-4-yl)-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 126427586
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 97456837
4-(2-cyanophenyl)-N-(cyclopropylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 44572047
N-(cyclobutylmethyl)-4-methyl-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 137334645
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-4-methyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 42595629
N-(cyclobutylmethyl)-3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 118792637
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 45189592

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide (CID 126425817) is N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Cc1cnc(C)c(-c2ccc(C(=O)N(CC3CCC3)C[C@@H]3CCCO3)cc2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is JJKJXNUUBLUITO-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-13-24-17(2)22(25-16)19-8-10-20(11-9-19)23(27)26(14-18-5-3-6-18)15-21-7-4-12-28-21/h8-11,13,18,21H,3-7,12,14-15H2,1-2H3/t21-/m0/s1.
What are the key properties of N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 4.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-4-(3,6-dimethylpyrazin-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 126425817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).