2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

C20H24N4O — CID 95188553

IUPAC2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC[C@@H]2CCN(C/C=C/c3ccccc3)C2)ccn1
InChIInChI=1S/C20H24N4O/c21-19-13-18(8-10-22-19)20(25)23-14-17-9-12-24(15-17)11-4-7-16-5-2-1-3-6-16/h1-8,10,13,17H,9,11-12,14-15H2,(H2,21,22)(H,23,25)/b7-4+/t17-/m0/s1
InChIKeyABTORNCCCNSSMY-PFWMLDTASA-N
MW336.44 g/mol
LogP2.43
Rot. Bonds6

About 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide

2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (PubChem CID 95188553) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
PubChem CID95188553
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
SMILESNc1cc(C(=O)NC[C@@H]2CCN(C/C=C/c3ccccc3)C2)ccn1
InChIInChI=1S/C20H24N4O/c21-19-13-18(8-10-22-19)20(25)23-14-17-9-12-24(15-17)11-4-7-16-5-2-1-3-6-16/h1-8,10,13,17H,9,11-12,14-15H2,(H2,21,22)(H,23,25)/b7-4+/t17-/m0/s1
InChIKeyABTORNCCCNSSMY-PFWMLDTASA-N
XLogP2.43
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-amino-N-[[1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 56701383
3-hydroxy-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]benzamide
CID 95190416
3-amino-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 56701819
2-amino-N-(thiolan-3-ylmethyl)pyridine-4-carboxamide
CID 107298151
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
(2S)-2-methoxy-2-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]methyl]acetamide
CID 131896747
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]benzamide
CID 61245229
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
(3R)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-ol
CID 129368573
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
3-[1-(3-phenylprop-2-enyl)piperidin-4-yl]propanoic acid
CID 76937513

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide (CID 95188553) is 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is Nc1cc(C(=O)NC[C@@H]2CCN(C/C=C/c3ccccc3)C2)ccn1.
What is the InChIKey of 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
The InChIKey is ABTORNCCCNSSMY-PFWMLDTASA-N. The full InChI is InChI=1S/C20H24N4O/c21-19-13-18(8-10-22-19)20(25)23-14-17-9-12-24(15-17)11-4-7-16-5-2-1-3-6-16/h1-8,10,13,17H,9,11-12,14-15H2,(H2,21,22)(H,23,25)/b7-4+/t17-/m0/s1.
What are the key properties of 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide?
2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(3S)-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-3-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 95188553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).