(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

C17H23ClN4O2 — CID 166696969

IUPAC(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@]12CC1N[C@H](C(=O)Nc1nc(Cl)ccc1CN1CCOCC1)C2
InChIInChI=1S/C17H23ClN4O2/c1-17-8-12(19-13(17)9-17)16(23)21-15-11(2-3-14(18)20-15)10-22-4-6-24-7-5-22/h2-3,12-13,19H,4-10H2,1H3,(H,20,21,23)/t12-,13?,17-/m0/s1
InChIKeyDISJJYRBTZSJDM-NKGYKZILSA-N
MW350.85 g/mol
LogP1.65
Rot. Bonds4

About (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide

(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 166696969) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
PubChem CID166696969
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@]12CC1N[C@H](C(=O)Nc1nc(Cl)ccc1CN1CCOCC1)C2
InChIInChI=1S/C17H23ClN4O2/c1-17-8-12(19-13(17)9-17)16(23)21-15-11(2-3-14(18)20-15)10-22-4-6-24-7-5-22/h2-3,12-13,19H,4-10H2,1H3,(H,20,21,23)/t12-,13?,17-/m0/s1
InChIKeyDISJJYRBTZSJDM-NKGYKZILSA-N
XLogP1.65
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide 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

(1R,3S,5R)-N-(6-bromo-3-cyclopropyl-2-pyridinyl)-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide
CID 126643073
N-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 75520570
methyl 2-[4-[(2,6-dichloro-3-pyridinyl)methyl]morpholin-2-yl]acetate
CID 104969525
methyl 3-chloro-4-(morpholin-4-ylmethyl)benzoate
CID 67335502
4-[(2,6-dichloro-3-pyridinyl)methyl]-2,2-dimethylmorpholine
CID 106993529
2,6-dimethyl-N-[2-(morpholin-4-ylmethyl)phenyl]pyrimidine-4-carboxamide
CID 131930694
2-amino-1-[3-chloro-4-(morpholin-4-ylmethyl)phenyl]ethanone
CID 117425550
1-ethyl-N-[5-ethyl-4-(morpholin-4-ylmethyl)-2-pyridinyl]cyclopentane-1-carboxamide
CID 24952495
1-(4-chlorophenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 27869101
1-methoxy-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 47160584
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629287
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[2-(morpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 94629288

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide (CID 166696969) is (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is C[C@]12CC1N[C@H](C(=O)Nc1nc(Cl)ccc1CN1CCOCC1)C2.
What is the InChIKey of (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is DISJJYRBTZSJDM-NKGYKZILSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-17-8-12(19-13(17)9-17)16(23)21-15-11(2-3-14(18)20-15)10-22-4-6-24-7-5-22/h2-3,12-13,19H,4-10H2,1H3,(H,20,21,23)/t12-,13?,17-/m0/s1.
What are the key properties of (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide?
(3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-N-[6-chloro-3-(morpholin-4-ylmethyl)-2-pyridinyl]-5-methyl-2-azabicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 166696969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).