N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide

C29H26N4O3 — CID 55610513

IUPACN-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1)c1ccncc1
InChIInChI=1S/C29H26N4O3/c34-27(21-11-15-30-16-12-21)31-23-7-4-8-24(19-23)32-28(35)22-13-17-33(18-14-22)29(36)26-10-3-6-20-5-1-2-9-25(20)26/h1-12,15-16,19,22H,13-14,17-18H2,(H,31,34)(H,32,35)
InChIKeyQQQVEYOGULVKMK-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.98
Rot. Bonds5

About N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 55610513) has the molecular formula C29H26N4O3 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID55610513
Molecular FormulaC29H26N4O3
Molecular Weight478.55 g/mol
Exact Mass478.20
IUPAC NameN-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1)c1ccncc1
InChIInChI=1S/C29H26N4O3/c34-27(21-11-15-30-16-12-21)31-23-7-4-8-24(19-23)32-28(35)22-13-17-33(18-14-22)29(36)26-10-3-6-20-5-1-2-9-25(20)26/h1-12,15-16,19,22H,13-14,17-18H2,(H,31,34)(H,32,35)
InChIKeyQQQVEYOGULVKMK-UHFFFAOYSA-N
XLogP4.98
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(naphthalene-1-carbonyl)-N-pyridin-4-ylpiperidine-4-carboxamide
CID 27700417
N-[3-(naphthalene-1-carbonylamino)phenyl]pyridine-4-carboxamide
CID 55610557
1-(naphthalene-1-carbonyl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 17465771
1-(naphthalene-1-carbonyl)-N-(3-sulfamoylphenyl)piperidine-4-carboxamide
CID 27396106
1-(naphthalene-1-carbonyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 112815469
N-(3-chloro-4-piperidin-1-ylphenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55884883
1-(naphthalene-1-carbonyl)-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 17447647
N-(3-methoxyphenyl)-1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881516
N-[[3-(furan-2-carbonylamino)phenyl]methyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55613801
N-[4-(diethylamino)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 46581827
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55456894

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide (CID 55610513) is N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1)c1ccncc1.
What is the InChIKey of N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is QQQVEYOGULVKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O3/c34-27(21-11-15-30-16-12-21)31-23-7-4-8-24(19-23)32-28(35)22-13-17-33(18-14-22)29(36)26-10-3-6-20-5-1-2-9-25(20)26/h1-12,15-16,19,22H,13-14,17-18H2,(H,31,34)(H,32,35).
What are the key properties of N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 478.55 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 55610513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).