N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide

C19H23N3O2 — CID 95191546

IUPACN-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCCN(C/C=C/c2ccco2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O2/c23-19(17-7-9-20-10-8-17)21-14-16-4-1-11-22(15-16)12-2-5-18-6-3-13-24-18/h2-3,5-10,13,16H,1,4,11-12,14-15H2,(H,21,23)/b5-2+/t16-/m1/s1
InChIKeyCJUMTCLQXLZSJY-OUGHUQCRSA-N
MW325.41 g/mol
LogP2.83
Rot. Bonds6

About N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide

N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 95191546) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID95191546
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H]1CCCN(C/C=C/c2ccco2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O2/c23-19(17-7-9-20-10-8-17)21-14-16-4-1-11-22(15-16)12-2-5-18-6-3-13-24-18/h2-3,5-10,13,16H,1,4,11-12,14-15H2,(H,21,23)/b5-2+/t16-/m1/s1
InChIKeyCJUMTCLQXLZSJY-OUGHUQCRSA-N
XLogP2.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
CID 95219305
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45195444
4-fluoro-N-[[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 25289047
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45232594
2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 95188553
2-amino-N-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 56701383
N-[[1-(3-methylbut-2-enyl)piperidin-3-yl]methyl]furan-3-carboxamide
CID 131937285
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
4-phenyl-N-[[1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 72916739
4-phenyl-N-[[(3R)-1-(pyrimidin-2-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97282396
N-[[1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]methyl]furan-2-carboxamide
CID 45239979

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide (CID 95191546) is N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide is O=C(NC[C@H]1CCCN(C/C=C/c2ccco2)C1)c1ccncc1.
What is the InChIKey of N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is CJUMTCLQXLZSJY-OUGHUQCRSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(17-7-9-20-10-8-17)21-14-16-4-1-11-22(15-16)12-2-5-18-6-3-13-24-18/h2-3,5-10,13,16H,1,4,11-12,14-15H2,(H,21,23)/b5-2+/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide?
N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 95191546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).