tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate

C17H29N5O3 — CID 10991747

IUPACtert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
SMILESCCN(CC)CCNC(=O)c1ccc(NNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H29N5O3/c1-6-22(7-2)11-10-18-15(23)13-8-9-14(19-12-13)20-21-16(24)25-17(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,23)(H,19,20)(H,21,24)
InChIKeyQLMFJIZSUMJKPL-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.00
Rot. Bonds8

About tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate

tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate (PubChem CID 10991747) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
PubChem CID10991747
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Nametert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate
SMILESCCN(CC)CCNC(=O)c1ccc(NNC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C17H29N5O3/c1-6-22(7-2)11-10-18-15(23)13-8-9-14(19-12-13)20-21-16(24)25-17(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,23)(H,19,20)(H,21,24)
InChIKeyQLMFJIZSUMJKPL-UHFFFAOYSA-N
XLogP2.00
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-6-(ethylamino)pyridine-3-carboxamide
CID 62165858
4-tert-butyl-N-[2-(diethylamino)ethyl]benzamide
CID 19165344
tert-butyl N-[(5-bromo-2-pyridinyl)amino]carbamate
CID 90190519
tert-butyl N-[(5-fluoro-2-pyridinyl)amino]carbamate
CID 124909096
(4S)-2-tert-butyl-4-[3-hydroxypropyl-[[6-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]pyridine-3-carbonyl]amino]amino]pentanedioic acid
CID 22878469
tert-butyl N-[[5-[[3,4-bis(docosa-1,3,5,7,9,11,13,15,17,19,21-undecaynoxy)-5-methylphenyl]methylcarbamoyl]-2-pyridinyl]amino]carbamate
CID 165085099
6-amino-N-[2-[ethyl(propyl)amino]ethyl]pyridine-3-carboxamide
CID 114134937
N-[2-[ethyl(propyl)amino]ethyl]-6-fluoropyridine-3-carboxamide
CID 103719344
tert-butyl N-[2-[[5-[2-(diethylamino)ethyl-ethylcarbamoyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 145482012
tert-butyl N-butyl-N-[4-[3-[3-[(6-hydrazinylpyridine-3-carbonyl)amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butyl]carbamate
CID 123610579
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-[2-(diethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 3327071

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate (CID 10991747) is tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate is CCN(CC)CCNC(=O)c1ccc(NNC(=O)OC(C)(C)C)nc1.
What is the InChIKey of tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate?
The InChIKey is QLMFJIZSUMJKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-6-22(7-2)11-10-18-15(23)13-8-9-14(19-12-13)20-21-16(24)25-17(3,4)5/h8-9,12H,6-7,10-11H2,1-5H3,(H,18,23)(H,19,20)(H,21,24).
What are the key properties of tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate?
tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate has a molecular weight of 351.45 g/mol, XLogP of 2.00, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[2-(diethylamino)ethylcarbamoyl]-2-pyridinyl]amino]carbamate is sourced from PubChem (CID 10991747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).