5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

C19H24N4O2 — CID 52986476

IUPAC5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-19-15(9-6-10-20-19)12-21-18(24)17-11-16(22-23-17)14-7-4-3-5-8-14/h3-10,13,16-17,22-23H,11-12H2,1-2H3,(H,21,24)
InChIKeyLIASLCYDVYKKPF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.09
Rot. Bonds6

About 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide

5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (PubChem CID 52986476) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
PubChem CID52986476
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)C1CC(c2ccccc2)NN1
InChIInChI=1S/C19H24N4O2/c1-13(2)25-19-15(9-6-10-20-19)12-21-18(24)17-11-16(22-23-17)14-7-4-3-5-8-14/h3-10,13,16-17,22-23H,11-12H2,1-2H3,(H,21,24)
InChIKeyLIASLCYDVYKKPF-UHFFFAOYSA-N
XLogP2.09
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 78982061
N-ethyl-5-phenylpyrazolidine-3-carboxamide
CID 73487890
2,3-dimethyl-4-oxo-4-[(2-propan-2-yloxy-3-pyridinyl)methylamino]but-2-enoic acid
CID 76992706
1-amino-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 65464946
2-(cyclopropylmethylamino)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 61375381
5-propan-2-yl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyrazolidine-3-carboxamide
CID 52986650
N-[(2-chlorophenyl)methyl]-5-(4-ethoxyphenyl)pyrazolidine-3-carboxamide
CID 75234440
N-(3-hydroxy-2-pyridinyl)-5-phenylpyrazolidine-3-carboxamide
CID 52978373
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60975328
methyl 2-[(2-propan-2-yloxy-3-pyridinyl)methylamino]acetate
CID 61375172
N-(1-methoxypropan-2-yl)-5-phenylpyrazolidine-3-carboxamide
CID 73421866
(3R)-3-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,3-dicarboxamide
CID 94028864

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The IUPAC name of 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide (CID 52986476) is 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is CC(C)Oc1ncccc1CNC(=O)C1CC(c2ccccc2)NN1.
What is the InChIKey of 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
The InChIKey is LIASLCYDVYKKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)25-19-15(9-6-10-20-19)12-21-18(24)17-11-16(22-23-17)14-7-4-3-5-8-14/h3-10,13,16-17,22-23H,11-12H2,1-2H3,(H,21,24).
What are the key properties of 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide?
5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrazolidine-3-carboxamide is sourced from PubChem (CID 52986476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).