N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

C23H23N5O2 — CID 52989302

IUPACN-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CNNC2c2ccccc2)c1)c1cccnc1
InChIInChI=1S/C23H23N5O2/c29-22(18-9-5-11-24-14-18)27-19-10-4-6-16(12-19)13-25-23(30)20-15-26-28-21(20)17-7-2-1-3-8-17/h1-12,14,20-21,26,28H,13,15H2,(H,25,30)(H,27,29)
InChIKeyKTXNMERMVWHEEH-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.42
Rot. Bonds6

About N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 52989302) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID52989302
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(CNC(=O)C2CNNC2c2ccccc2)c1)c1cccnc1
InChIInChI=1S/C23H23N5O2/c29-22(18-9-5-11-24-14-18)27-19-10-4-6-16(12-19)13-25-23(30)20-15-26-28-21(20)17-7-2-1-3-8-17/h1-12,14,20-21,26,28H,13,15H2,(H,25,30)(H,27,29)
InChIKeyKTXNMERMVWHEEH-UHFFFAOYSA-N
XLogP2.42
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(cyclohexanecarbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926249
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
N-[3-[(pyridin-3-ylmethylamino)methyl]phenyl]benzamide
CID 167788659
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-3-phenylpyrazolidine-4-carboxamide
CID 52975465

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide (CID 52989302) is N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(CNC(=O)C2CNNC2c2ccccc2)c1)c1cccnc1.
What is the InChIKey of N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KTXNMERMVWHEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-22(18-9-5-11-24-14-18)27-19-10-4-6-16(12-19)13-25-23(30)20-15-26-28-21(20)17-7-2-1-3-8-17/h1-12,14,20-21,26,28H,13,15H2,(H,25,30)(H,27,29).
What are the key properties of N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.42, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-phenylpyrazolidine-4-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 52989302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).