N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide

C24H28N4O — CID 85470634

IUPACN-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
SMILESCC(c1cccc2ccccc12)N1CCC(C(=O)NCc2ccnc(N)c2)CC1
InChIInChI=1S/C24H28N4O/c1-17(21-8-4-6-19-5-2-3-7-22(19)21)28-13-10-20(11-14-28)24(29)27-16-18-9-12-26-23(25)15-18/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H2,25,26)(H,27,29)
InChIKeyHMZVODRMPPDVET-UHFFFAOYSA-N
MW388.52 g/mol
LogP3.91
Rot. Bonds5

About N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide

N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide (PubChem CID 85470634) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
PubChem CID85470634
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
SMILESCC(c1cccc2ccccc12)N1CCC(C(=O)NCc2ccnc(N)c2)CC1
InChIInChI=1S/C24H28N4O/c1-17(21-8-4-6-19-5-2-3-7-22(19)21)28-13-10-20(11-14-28)24(29)27-16-18-9-12-26-23(25)15-18/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H2,25,26)(H,27,29)
InChIKeyHMZVODRMPPDVET-UHFFFAOYSA-N
XLogP3.91
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 76853653
N-[(4-fluorophenyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide
CID 155891033
1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
CID 155289856
1-[(1R)-1-naphthalen-1-ylethyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 90670154
N-[1-(1-naphthalen-1-ylethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 176652835
N-[(2-methoxy-4-pyridinyl)methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 18205211
4-(cyclopenten-1-yl)-N-[3-fluoro-5-[[[1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carbonyl]amino]methyl]phenyl]piperazine-1-carboxamide
CID 171503089
(2S,3R)-3-[(2-amino-4-pyridinyl)methyl]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-4-oxoazetidine-1-carboxamide
CID 68602333
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720
2-[4-[(1S)-1-naphthalen-1-ylethyl]piperazin-1-yl]acetamide
CID 95582678
N-benzyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide
CID 27107036

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide (CID 85470634) is N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide is CC(c1cccc2ccccc12)N1CCC(C(=O)NCc2ccnc(N)c2)CC1.
What is the InChIKey of N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is HMZVODRMPPDVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-17(21-8-4-6-19-5-2-3-7-22(19)21)28-13-10-20(11-14-28)24(29)27-16-18-9-12-26-23(25)15-18/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H2,25,26)(H,27,29).
What are the key properties of N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide?
N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 388.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-4-pyridinyl)methyl]-1-(1-naphthalen-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 85470634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).