4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide

C24H27N5O2 — CID 129083727

IUPAC4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N)cc(N2CCCC(CO)C2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H27N5O2/c25-20-13-21(29-12-4-5-16(14-29)15-30)28-23(22(20)24(26)27)17-8-10-19(11-9-17)31-18-6-2-1-3-7-18/h1-3,6-11,13,16,30H,4-5,12,14-15H2,(H2,25,28)(H3,26,27)
InChIKeyRXRUCXAPFAOULB-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.62
Rot. Bonds6

About 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide

4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide (PubChem CID 129083727) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide.

Molecular Properties

Compound Name4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
PubChem CID129083727
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(N)cc(N2CCCC(CO)C2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H27N5O2/c25-20-13-21(29-12-4-5-16(14-29)15-30)28-23(22(20)24(26)27)17-8-10-19(11-9-17)31-18-6-2-1-3-7-18/h1-3,6-11,13,16,30H,4-5,12,14-15H2,(H2,25,28)(H3,26,27)
InChIKeyRXRUCXAPFAOULB-UHFFFAOYSA-N
XLogP3.62
TPSA121.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-6-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083354
4-amino-2,6-bis(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083628
2-[3-(hydroxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carboximidamide
CID 61176724
4-amino-2-tert-butyl-6-(4-phenoxyphenyl)pyrimidine-5-carboximidamide
CID 123851213
4-amino-6-chloro-5-methyl-2-(4-phenoxyphenyl)pyridine-3-carboximidamide
CID 129083523
2-[[4-[4-amino-5-carbamimidoyl-6-(4-phenoxyphenyl)-2-pyridinyl]benzoyl]amino]acetic acid
CID 129083547
[1-[4-(hydroxymethyl)quinolin-2-yl]piperidin-3-yl]methanol
CID 61252810
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
5-amino-2,3-bis(4-phenoxyphenyl)pyridine-4-carboximidamide
CID 129083615
[1-(3-amino-4-phenyl-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-3-yl]methanol
CID 13138541
[1-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-3-yl]methanol
CID 47060288
3-amino-5-(4-phenoxyphenyl)-2-(4-phenylphenyl)pyridine-4-carboximidamide
CID 129083484

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The IUPAC name of 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide (CID 129083727) is 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide.
What is the SMILES notation for 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The canonical SMILES for 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(N)cc(N2CCCC(CO)C2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
The InChIKey is RXRUCXAPFAOULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c25-20-13-21(29-12-4-5-16(14-29)15-30)28-23(22(20)24(26)27)17-8-10-19(11-9-17)31-18-6-2-1-3-7-18/h1-3,6-11,13,16,30H,4-5,12,14-15H2,(H2,25,28)(H3,26,27).
What are the key properties of 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide?
4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide has a molecular weight of 417.51 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-phenoxyphenyl)pyridine-3-carboximidamide is sourced from PubChem (CID 129083727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).