benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate

C19H24N4O3 — CID 70073083

IUPACbenzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate
SMILESN[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C19H24N4O3/c20-16(18(24)23-17-11-5-7-12-21-17)10-4-6-13-22-19(25)26-14-15-8-2-1-3-9-15/h1-3,5,7-9,11-12,16H,4,6,10,13-14,20H2,(H,22,25)(H,21,23,24)/t16-/m0/s1
InChIKeyHGXNOYBAMIJINM-INIZCTEOSA-N
MW356.43 g/mol
LogP2.44
Rot. Bonds9

About benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate

benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate (PubChem CID 70073083) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate
PubChem CID70073083
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namebenzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate
SMILESN[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1
InChIInChI=1S/C19H24N4O3/c20-16(18(24)23-17-11-5-7-12-21-17)10-4-6-13-22-19(25)26-14-15-8-2-1-3-9-15/h1-3,5,7-9,11-12,16H,4,6,10,13-14,20H2,(H,22,25)(H,21,23,24)/t16-/m0/s1
InChIKeyHGXNOYBAMIJINM-INIZCTEOSA-N
XLogP2.44
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate?
The IUPAC name of benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate (CID 70073083) is benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate.
What is the SMILES notation for benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate?
The canonical SMILES for benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate is N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1.
What is the InChIKey of benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate?
The InChIKey is HGXNOYBAMIJINM-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-16(18(24)23-17-11-5-7-12-21-17)10-4-6-13-22-19(25)26-14-15-8-2-1-3-9-15/h1-3,5,7-9,11-12,16H,4,6,10,13-14,20H2,(H,22,25)(H,21,23,24)/t16-/m0/s1.
What are the key properties of benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate?
benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate has a molecular weight of 356.43 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylamino)hexyl]carbamate is sourced from PubChem (CID 70073083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).