amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid

C11H16N4O3 — CID 174630736

IUPACamino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
SMILESNN(C(=O)O)c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C11H16N4O3/c12-15(11(16)17)10-3-1-2-9(13-10)8-14-4-6-18-7-5-14/h1-3H,4-8,12H2,(H,16,17)
InChIKeyQOERUFWDKHOWIK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.27
Rot. Bonds3

About amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid

amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid (PubChem CID 174630736) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Nameamino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
PubChem CID174630736
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Nameamino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid
SMILESNN(C(=O)O)c1cccc(CN2CCOCC2)n1
InChIInChI=1S/C11H16N4O3/c12-15(11(16)17)10-3-1-2-9(13-10)8-14-4-6-18-7-5-14/h1-3H,4-8,12H2,(H,16,17)
InChIKeyQOERUFWDKHOWIK-UHFFFAOYSA-N
XLogP0.27
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[16-[[6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 164597861
amino-[4-(morpholin-4-ylmethyl)phenyl]carbamic acid
CID 175714348
4-amino-6-[[16-[(6-carboxy-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid;hydrochloride
CID 138911411
6-[[18-[(6-carboxy-2-pyridinyl)methyl]-2,8,15,21-tetraoxa-5,18-diazatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaen-5-yl]methyl]pyridine-2-carboxylic acid
CID 166147362
6-[[16-[(6-carboxy-2-pyridinyl)methyl]-2-methyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylic acid
CID 155721211
N-methyl-6-(morpholin-4-ylmethyl)pyridin-2-amine
CID 79242984
6-[[14-[(6-formyl-2-pyridinyl)methyl]-2,8,11,17-tetraoxa-5,14-diazabicyclo[16.4.0]docosa-1(22),18,20-trien-5-yl]methyl]pyridine-2-carboxylic acid
CID 166147375
16-[[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]methyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 14953575
[6-(1,4-oxazepan-4-ylmethyl)-2-pyridinyl]hydrazine
CID 79231202
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
7,16-bis[(6-pyrazin-2-yl-2-pyridinyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 14953567
(2,3,5,6-tetrafluorophenyl)methyl 6-[[16-[[6-[(2,3,5,6-tetrafluorophenyl)methoxycarbonyl]-2-pyridinyl]methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]methyl]pyridine-2-carboxylate
CID 171575547

Frequently Asked Questions

What is the IUPAC name of amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid?
The IUPAC name of amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid (CID 174630736) is amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid is NN(C(=O)O)c1cccc(CN2CCOCC2)n1.
What is the InChIKey of amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid?
The InChIKey is QOERUFWDKHOWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c12-15(11(16)17)10-3-1-2-9(13-10)8-14-4-6-18-7-5-14/h1-3H,4-8,12H2,(H,16,17).
What are the key properties of amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid?
amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid has a molecular weight of 252.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 174630736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).