5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide

C21H26ClN5O2 — CID 52986431

IUPAC5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)C3CC(c4ccccc4Cl)NN3)cn2)CCO1
InChIInChI=1S/C21H26ClN5O2/c1-14-13-27(8-9-29-14)20-7-6-15(11-23-20)12-24-21(28)19-10-18(25-26-19)16-4-2-3-5-17(16)22/h2-7,11,14,18-19,25-26H,8-10,12-13H2,1H3,(H,24,28)
InChIKeyXMBVCJUGYGRPPW-UHFFFAOYSA-N
MW415.93 g/mol
LogP2.18
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide

5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide (PubChem CID 52986431) has the molecular formula C21H26ClN5O2 and a molecular weight of 415.93 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
PubChem CID52986431
Molecular FormulaC21H26ClN5O2
Molecular Weight415.93 g/mol
Exact Mass415.18
IUPAC Name5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide
SMILESCC1CN(c2ccc(CNC(=O)C3CC(c4ccccc4Cl)NN3)cn2)CCO1
InChIInChI=1S/C21H26ClN5O2/c1-14-13-27(8-9-29-14)20-7-6-15(11-23-20)12-24-21(28)19-10-18(25-26-19)16-4-2-3-5-17(16)22/h2-7,11,14,18-19,25-26H,8-10,12-13H2,1H3,(H,24,28)
InChIKeyXMBVCJUGYGRPPW-UHFFFAOYSA-N
XLogP2.18
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-chlorophenyl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986265
(2S,4S)-2-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120633132
N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 119846618
3-amino-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119846574
1-[2-(4-chlorophenyl)ethyl]-3-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]urea
CID 86992830
5-(2-chlorophenyl)-N-[(4-ethoxyphenyl)methyl]pyrazolidine-3-carboxamide
CID 75255164
1-(3-chlorophenyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94075682
2-methyl-1-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]guanidine
CID 110915666
1-(furan-3-ylmethyl)-3-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]urea
CID 94068034
6-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 51080809
(2S)-2-amino-3,3-dimethyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]butanamide
CID 119846586
1-[[6-[(2S)-2-methylmorpholin-4-yl]-3-pyridinyl]methyl]-3-pyridin-3-ylurea
CID 94030778

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide (CID 52986431) is 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide is CC1CN(c2ccc(CNC(=O)C3CC(c4ccccc4Cl)NN3)cn2)CCO1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
The InChIKey is XMBVCJUGYGRPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O2/c1-14-13-27(8-9-29-14)20-7-6-15(11-23-20)12-24-21(28)19-10-18(25-26-19)16-4-2-3-5-17(16)22/h2-7,11,14,18-19,25-26H,8-10,12-13H2,1H3,(H,24,28).
What are the key properties of 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide?
5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide has a molecular weight of 415.93 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).