ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate

C20H24N4O3 — CID 37481999

IUPACethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)23-17-8-6-16(7-9-17)19(25)22-14-15-5-10-18(21-13-15)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOPZZTYWHFSYFHP-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.18
Rot. Bonds6

About ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate

ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate (PubChem CID 37481999) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
PubChem CID37481999
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)23-17-8-6-16(7-9-17)19(25)22-14-15-5-10-18(21-13-15)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOPZZTYWHFSYFHP-UHFFFAOYSA-N
XLogP3.18
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
4-ethoxy-3-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735122
4-prop-2-enoxy-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37480846
4-(dimethylsulfamoyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528100
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 46462488
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
4-pyrazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528681
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate (CID 37481999) is ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate?
The InChIKey is OPZZTYWHFSYFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-20(26)23-17-8-6-16(7-9-17)19(25)22-14-15-5-10-18(21-13-15)24-11-3-4-12-24/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate?
ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate has a molecular weight of 368.44 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(6-pyrrolidin-1-yl-3-pyridinyl)methylcarbamoyl]phenyl]carbamate is sourced from PubChem (CID 37481999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).