ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate

C23H31N3O3 — CID 142144655

IUPACethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
SMILESCC.CC(C)OC(=O)NCc1ccccc1-c1cccnc1C(=O)NCC1CC1
InChIInChI=1S/C21H25N3O3.C2H6/c1-14(2)27-21(26)24-13-16-6-3-4-7-17(16)18-8-5-11-22-19(18)20(25)23-12-15-9-10-15;1-2/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,26);1-2H3
InChIKeyMYWZPAATSBFBRK-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.55
Rot. Bonds7

About ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate

ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate (PubChem CID 142144655) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Nameethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
PubChem CID142144655
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Nameethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
SMILESCC.CC(C)OC(=O)NCc1ccccc1-c1cccnc1C(=O)NCC1CC1
InChIInChI=1S/C21H25N3O3.C2H6/c1-14(2)27-21(26)24-13-16-6-3-4-7-17(16)18-8-5-11-22-19(18)20(25)23-12-15-9-10-15;1-2/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,26);1-2H3
InChIKeyMYWZPAATSBFBRK-UHFFFAOYSA-N
XLogP4.55
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-[[2-[2-(phenylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 142144649
N-(cyclopropylmethyl)-3-propan-2-ylpyridine-2-carboxamide
CID 170671139
N-[[2-[2-(3-methylbutylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate
CID 22667751
propan-2-yl N-(quinolin-5-ylmethyl)carbamate
CID 135387719
3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-[2-[[[(3R)-3-phenylbutanoyl]amino]methyl]phenyl]-N-propylpyridine-2-carboxamide
CID 142144640
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
1-cyclopropyl-N-[(2-pyrimidin-2-ylphenyl)methyl]methanamine
CID 173207711
3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
propan-2-yl N-[(3-methylcyclopentyl)methyl]carbamate
CID 107412401

Frequently Asked Questions

What is the IUPAC name of ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The IUPAC name of ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate (CID 142144655) is ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate.
What is the SMILES notation for ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The canonical SMILES for ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate is CC.CC(C)OC(=O)NCc1ccccc1-c1cccnc1C(=O)NCC1CC1.
What is the InChIKey of ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
The InChIKey is MYWZPAATSBFBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3.C2H6/c1-14(2)27-21(26)24-13-16-6-3-4-7-17(16)18-8-5-11-22-19(18)20(25)23-12-15-9-10-15;1-2/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,23,25)(H,24,26);1-2H3.
What are the key properties of ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate?
ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate has a molecular weight of 397.52 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propan-2-yl N-[[2-[2-(cyclopropylmethylcarbamoyl)-3-pyridinyl]phenyl]methyl]carbamate is sourced from PubChem (CID 142144655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).