tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

C26H35N5O8 — CID 160544166

IUPACtert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccnc(C(=O)N2CCOCC2)c1.CC(C)(C)OC(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H21N3O4.C11H14N2O4/c1-15(2,3)22-14(20)17-11-4-5-16-12(10-11)13(19)18-6-8-21-9-7-18;1-11(2,3)17-10(16)13-7-4-5-12-8(6-7)9(14)15/h4-5,10H,6-9H2,1-3H3,(H,16,17,20);4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyQXESRIGJBXKAKF-UHFFFAOYSA-N
MW545.59 g/mol
LogP4.03
Rot. Bonds4

About tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid

tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (PubChem CID 160544166) has the molecular formula C26H35N5O8 and a molecular weight of 545.59 g/mol. Its IUPAC name is tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nametert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
PubChem CID160544166
Molecular FormulaC26H35N5O8
Molecular Weight545.59 g/mol
Exact Mass545.25
IUPAC Nametert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)Nc1ccnc(C(=O)N2CCOCC2)c1.CC(C)(C)OC(=O)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C15H21N3O4.C11H14N2O4/c1-15(2,3)22-14(20)17-11-4-5-16-12(10-11)13(19)18-6-8-21-9-7-18;1-11(2,3)17-10(16)13-7-4-5-12-8(6-7)9(14)15/h4-5,10H,6-9H2,1-3H3,(H,16,17,20);4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKeyQXESRIGJBXKAKF-UHFFFAOYSA-N
XLogP4.03
TPSA169.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.59
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Morpholin-4-yl)pyridine-2-carboxylic acid
CID 2474275
4-(((Tert-butoxy)carbonyl)amino)pyridine-2-carboxylic acid
CID 49760372
4-{rel-(3S,4R)-3-cyclopropyl-4-[(tetrahydro-2H-pyran-4-ylcarbonyl)amino]-1-pyrrolidinyl}-2-pyridinecarboxylic acid hydrochloride
CID 72885560
4-(2-Hydroxy-2-methyl-pentanoylamino)-pyridine-2-carboxylic acid methyl ester
CID 71557435
4-(3-Oxopiperazin-1-yl)pyridine-2-carboxylic acid hydrochloride
CID 75493352
4-{[(Tert-butoxy)carbonyl]amino}-5-fluoropyridine-2-carboxylic acid
CID 137943230
4-(3-Oxopiperazin-1-yl)pyridine-2-carboxylic acid
CID 43143064
4-[(5-Fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 104638257
4-[(6-Fluoropyridine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 113323267
4-[4-[2-(2-Fluoroanilino)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 132972012
4-[4-[2-[(2-Fluorobenzoyl)amino]ethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 154771496
4-(Piperazin-1-yl)pyridine-2-carboxylic acid
CID 21283534

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The IUPAC name of tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid (CID 160544166) is tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The canonical SMILES for tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is CC(C)(C)OC(=O)Nc1ccnc(C(=O)N2CCOCC2)c1.CC(C)(C)OC(=O)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
The InChIKey is QXESRIGJBXKAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.C11H14N2O4/c1-15(2,3)22-14(20)17-11-4-5-16-12(10-11)13(19)18-6-8-21-9-7-18;1-11(2,3)17-10(16)13-7-4-5-12-8(6-7)9(14)15/h4-5,10H,6-9H2,1-3H3,(H,16,17,20);4-6H,1-3H3,(H,14,15)(H,12,13,16).
What are the key properties of tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid?
tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid has a molecular weight of 545.59 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(morpholine-4-carbonyl)-4-pyridinyl]carbamate;4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 160544166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).