2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide

C15H22ClN3O2 — CID 35365780

IUPAC2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C15H22ClN3O2/c1-11(2)9-19-5-6-21-13(10-19)8-18-15(20)12-3-4-17-14(16)7-12/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyTXKUQRYWTDIGKR-CYBMUJFWSA-N
MW311.81 g/mol
LogP1.82
Rot. Bonds5

About 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide

2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide (PubChem CID 35365780) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
PubChem CID35365780
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide
SMILESCC(C)CN1CCO[C@H](CNC(=O)c2ccnc(Cl)c2)C1
InChIInChI=1S/C15H22ClN3O2/c1-11(2)9-19-5-6-21-13(10-19)8-18-15(20)12-3-4-17-14(16)7-12/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyTXKUQRYWTDIGKR-CYBMUJFWSA-N
XLogP1.82
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
3-cyano-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 35361039
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
4-acetamido-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 17479762
4-chloro-2-fluoro-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24642416
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-3-nitrobenzamide
CID 42887586
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrazine-2-carboxamide
CID 30538165
5-bromo-2-hydroxy-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 46523422
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 51074161
2,6-difluoro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 39485652
4-(benzimidazol-1-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]benzamide
CID 24625208
N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-oxo-4H-1,4-benzoxazine-7-carboxamide
CID 39484487

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide (CID 35365780) is 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide is CC(C)CN1CCO[C@H](CNC(=O)c2ccnc(Cl)c2)C1.
What is the InChIKey of 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide?
The InChIKey is TXKUQRYWTDIGKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11(2)9-19-5-6-21-13(10-19)8-18-15(20)12-3-4-17-14(16)7-12/h3-4,7,11,13H,5-6,8-10H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide?
2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide has a molecular weight of 311.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 35365780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).