2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate

C11H16N4O3 — CID 105071026

IUPAC2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
SMILESCCNc1cnccc1C(=O)NCCOC(N)=O
InChIInChI=1S/C11H16N4O3/c1-2-14-9-7-13-4-3-8(9)10(16)15-5-6-18-11(12)17/h3-4,7,14H,2,5-6H2,1H3,(H2,12,17)(H,15,16)
InChIKeyFUNDYEMHZGKWRU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.34
Rot. Bonds6

About 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate

2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate (PubChem CID 105071026) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate.

Molecular Properties

Compound Name2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
PubChem CID105071026
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate
SMILESCCNc1cnccc1C(=O)NCCOC(N)=O
InChIInChI=1S/C11H16N4O3/c1-2-14-9-7-13-4-3-8(9)10(16)15-5-6-18-11(12)17/h3-4,7,14H,2,5-6H2,1H3,(H2,12,17)(H,15,16)
InChIKeyFUNDYEMHZGKWRU-UHFFFAOYSA-N
XLogP0.34
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.34
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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Related Compounds

N-(2-butoxyethyl)-3-(ethylamino)pyridine-4-carboxamide
CID 105069592
3-(ethylamino)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyridine-4-carboxamide
CID 105069888
N-[2-(cyclopropanecarbonylamino)ethyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105071246
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
(E)-3-[4-(2-carbamoyloxyethylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 83204290
3-(ethylamino)-N-(3-pyrrolidin-1-ylpropyl)pyridine-4-carboxamide
CID 105069979
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(ethylamino)pyridine-4-carboxamide
CID 105069549
3-(ethylamino)-N-(2-methyl-2-methylsulfonylpropyl)pyridine-4-carboxamide
CID 105070656
3-(ethylamino)-N-[(4-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105071500
2-[[3-(3-aminoprop-1-ynyl)pyridine-4-carbonyl]amino]ethyl carbamate
CID 83203212
N-(3-butoxypropyl)-3-(propylamino)pyridine-4-carboxamide
CID 105071243
3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106409098

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate?
The IUPAC name of 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate (CID 105071026) is 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate.
What is the SMILES notation for 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate?
The canonical SMILES for 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate is CCNc1cnccc1C(=O)NCCOC(N)=O.
What is the InChIKey of 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate?
The InChIKey is FUNDYEMHZGKWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-14-9-7-13-4-3-8(9)10(16)15-5-6-18-11(12)17/h3-4,7,14H,2,5-6H2,1H3,(H2,12,17)(H,15,16).
What are the key properties of 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate?
2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)pyridine-4-carbonyl]amino]ethyl carbamate is sourced from PubChem (CID 105071026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).