5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

C24H22N4O3 — CID 146879106

IUPAC5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
SMILESN#CN1CCC(Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1
InChIInChI=1S/C24H22N4O3/c25-16-28-11-10-17(15-28)12-18-13-22(23(26)29)24(27-14-18)31-21-8-6-20(7-9-21)30-19-4-2-1-3-5-19/h1-9,13-14,17H,10-12,15H2,(H2,26,29)
InChIKeySRLSWQFEIFRJJQ-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.11
Rot. Bonds7

About 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide

5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (PubChem CID 146879106) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
PubChem CID146879106
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
SMILESN#CN1CCC(Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1
InChIInChI=1S/C24H22N4O3/c25-16-28-11-10-17(15-28)12-18-13-22(23(26)29)24(27-14-18)31-21-8-6-20(7-9-21)30-19-4-2-1-3-5-19/h1-9,13-14,17H,10-12,15H2,(H2,26,29)
InChIKeySRLSWQFEIFRJJQ-UHFFFAOYSA-N
XLogP4.11
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenoxyphenoxy)-5-[(1-prop-2-enoylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 146929608
2-(4-phenoxyphenoxy)-5-[(3R)-1-propanoylpiperidin-3-yl]pyridine-3-carboxamide
CID 156613436
(3S)-3-[2-oxo-2-(5-phenylpyrimidin-2-yl)ethyl]pyrrolidine-1-carbonitrile
CID 159127690
6-[(3S)-3-aminopyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 118043277
[1-[5-carbamoyl-6-[4-(3-fluorophenoxy)phenoxy]-3-pyridinyl]piperidin-3-yl]carbamic acid
CID 118038505
5-(5-but-2-enoyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 123449393
4-(4-aminopiperidin-1-yl)-2-(5-phenoxy-2-pyridinyl)benzamide
CID 163208529
5-[(1-but-2-enoylpyrrolidin-3-yl)amino]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide
CID 123730016
4-[[1-(3-phenoxybenzoyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637681
methyl 2-[4-(3-fluorophenoxy)phenoxy]-5-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-3-carboxylate
CID 146756096
N-[(1-cyanopyrrolidin-3-yl)methyl]-5-phenyl-1,3-oxazole-2-carboxamide
CID 129247135
3-[[4-(4-phenoxyphenoxy)pyrrolo[3,2-d]pyrimidin-5-yl]methyl]azetidine-1-carbonitrile
CID 90646606

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The IUPAC name of 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide (CID 146879106) is 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide is N#CN1CCC(Cc2cnc(Oc3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2)C1.
What is the InChIKey of 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
The InChIKey is SRLSWQFEIFRJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c25-16-28-11-10-17(15-28)12-18-13-22(23(26)29)24(27-14-18)31-21-8-6-20(7-9-21)30-19-4-2-1-3-5-19/h1-9,13-14,17H,10-12,15H2,(H2,26,29).
What are the key properties of 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide?
5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide has a molecular weight of 414.47 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-cyanopyrrolidin-3-yl)methyl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 146879106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).