6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide

C24H26N4O2 — CID 59730242

IUPAC6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN[C@@H]3CCN(Cc4ccccc4)C3)cc2)nc1
InChIInChI=1S/C24H26N4O2/c25-24(29)20-8-11-23(27-15-20)30-22-9-6-18(7-10-22)14-26-21-12-13-28(17-21)16-19-4-2-1-3-5-19/h1-11,15,21,26H,12-14,16-17H2,(H2,25,29)/t21-/m1/s1
InChIKeyFZJAQZZSQPKZMQ-OAQYLSRUSA-N
MW402.50 g/mol
LogP3.34
Rot. Bonds8

About 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide

6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide (PubChem CID 59730242) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
PubChem CID59730242
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(Oc2ccc(CN[C@@H]3CCN(Cc4ccccc4)C3)cc2)nc1
InChIInChI=1S/C24H26N4O2/c25-24(29)20-8-11-23(27-15-20)30-22-9-6-18(7-10-22)14-26-21-12-13-28(17-21)16-19-4-2-1-3-5-19/h1-11,15,21,26H,12-14,16-17H2,(H2,25,29)/t21-/m1/s1
InChIKeyFZJAQZZSQPKZMQ-OAQYLSRUSA-N
XLogP3.34
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[[(3R)-1-benzylpyrrolidin-3-yl]iodanuidylmethyl]phenoxy]pyridine-3-carboxamide
CID 147824690
6-[4-[(3-phenylazepan-1-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 59730169
6-[4-[[3-(2-fluorophenyl)piperidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 68745791
6-[4-[2-(4-benzhydrylpiperidin-1-yl)ethyl]phenoxy]pyridine-3-carboxamide
CID 59729978
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
6-[4-[[(2S)-3,3-dimethyl-2-phenylazetidin-1-yl]methyl]phenoxy]pyridine-3-carboxamide
CID 56849551
N-[(3S)-1-benzylpyrrolidin-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 25474035
6-[4-[2-[(4-hydroxycyclohexyl)amino]ethyl]phenoxy]pyridine-3-carboxamide
CID 59730239
(3S)-1-[(4-methoxyphenyl)methyl]-N-[(4-phenylphenyl)methyl]pyrrolidin-3-amine
CID 142698472
6-[4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenoxy]pyridine-3-carboxamide
CID 71560809
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide (CID 59730242) is 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide is NC(=O)c1ccc(Oc2ccc(CN[C@@H]3CCN(Cc4ccccc4)C3)cc2)nc1.
What is the InChIKey of 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is FZJAQZZSQPKZMQ-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O2/c25-24(29)20-8-11-23(27-15-20)30-22-9-6-18(7-10-22)14-26-21-12-13-28(17-21)16-19-4-2-1-3-5-19/h1-11,15,21,26H,12-14,16-17H2,(H2,25,29)/t21-/m1/s1.
What are the key properties of 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide?
6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[(3R)-1-benzylpyrrolidin-3-yl]amino]methyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59730242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).