pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate

C20H19N5O3 — CID 44595406

IUPACpyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ncccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
InChIInChI=1S/C20H19N5O3/c21-18-17(4-2-10-23-18)25-19(26)16-7-5-14(6-8-16)12-24-20(27)28-13-15-3-1-9-22-11-15/h1-11H,12-13H2,(H2,21,23)(H,24,27)(H,25,26)
InChIKeyWFYUGWONEZRIED-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.74
Rot. Bonds6

About pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate

pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate (PubChem CID 44595406) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Namepyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate
PubChem CID44595406
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Namepyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate
SMILESNc1ncccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
InChIInChI=1S/C20H19N5O3/c21-18-17(4-2-10-23-18)25-19(26)16-7-5-14(6-8-16)12-24-20(27)28-13-15-3-1-9-22-11-15/h1-11H,12-13H2,(H2,21,23)(H,24,27)(H,25,26)
InChIKeyWFYUGWONEZRIED-UHFFFAOYSA-N
XLogP2.74
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Entinostat
CID 4261
methyl 2-[[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]amino]pyridine-3-carboxylate
CID 118180165
Ethyl 2,6-dimethyl-5-[(4-methylpyridin-2-yl)carbamoylamino]pyridine-3-carboxylate
CID 2341879
(S)-benzyl 4-(5-(2-aminophenylcarbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16066811
(R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methylpiperazine-1-carboxylate
CID 16662634
(2S,5R)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-dimethylpiperazine-1-carboxylate
CID 16662687
(S)-benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-isopropylpiperazine-1-carboxylate
CID 16662689
Benzyl 4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,2-dimethylpiperazine-1-carboxylate
CID 16662806
[4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid pyridin-3-ylmethyl ester
CID 25155417
Methyl 2-[4-[[[3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]methyl]phenyl]benzoate
CID 44401932
4''-[(3-Pentanoylamino-pyridin-2-ylamino)-methyl]-biphenyl-2-carboxylic acid methyl ester
CID 44402075
Pyridin-3-ylmethyl 5-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2,5-diaza-bicyclo[2.2.2]octane-2-carboxylate
CID 44433631

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The IUPAC name of pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate (CID 44595406) is pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The canonical SMILES for pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate is Nc1ncccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1.
What is the InChIKey of pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
The InChIKey is WFYUGWONEZRIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c21-18-17(4-2-10-23-18)25-19(26)16-7-5-14(6-8-16)12-24-20(27)28-13-15-3-1-9-22-11-15/h1-11H,12-13H2,(H2,21,23)(H,24,27)(H,25,26).
What are the key properties of pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate?
pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate has a molecular weight of 377.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylmethyl N-[[4-[(2-amino-3-pyridinyl)carbamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 44595406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).