tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate

C19H24N4O3 — CID 59419420

IUPACtert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-16(12-20)13-4-6-14(7-5-13)17(24)22-15-8-10-21-11-9-15/h4-11,16H,12,20H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyGYDBNHXRMLQFEG-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate

tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate (PubChem CID 59419420) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
PubChem CID59419420
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nametert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(CN)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-16(12-20)13-4-6-14(7-5-13)17(24)22-15-8-10-21-11-9-15/h4-11,16H,12,20H2,1-3H3,(H,23,25)(H,21,22,24)
InChIKeyGYDBNHXRMLQFEG-UHFFFAOYSA-N
XLogP2.86
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-amino-N-[2-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate
CID 68668186
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
tert-butyl N-[2-amino-1-(2-methylpyrazol-3-yl)ethyl]carbamate
CID 114553832
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 2766034
tert-butyl N-[2-amino-1-(2-methylpyrimidin-4-yl)ethyl]carbamate
CID 115527043
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide
CID 69455036

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate (CID 59419420) is tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate is CC(C)(C)OC(=O)NC(CN)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate?
The InChIKey is GYDBNHXRMLQFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-19(2,3)26-18(25)23-16(12-20)13-4-6-14(7-5-13)17(24)22-15-8-10-21-11-9-15/h4-11,16H,12,20H2,1-3H3,(H,23,25)(H,21,22,24).
What are the key properties of tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate?
tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-1-[4-(pyridin-4-ylcarbamoyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 59419420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).