N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

C17H21N5O2 — CID 75462280

IUPACN-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCN(Cc3cccnc3)CC2)ccc1=O
InChIInChI=1S/C17H21N5O2/c1-20-13-15(4-5-16(20)23)19-17(24)22-9-7-21(8-10-22)12-14-3-2-6-18-11-14/h2-6,11,13H,7-10,12H2,1H3,(H,19,24)
InChIKeyWUDJGBZZWIFRTF-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.13
Rot. Bonds3

About N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 75462280) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
PubChem CID75462280
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
SMILESCn1cc(NC(=O)N2CCN(Cc3cccnc3)CC2)ccc1=O
InChIInChI=1S/C17H21N5O2/c1-20-13-15(4-5-16(20)23)19-17(24)22-9-7-21(8-10-22)12-14-3-2-6-18-11-14/h2-6,11,13H,7-10,12H2,1H3,(H,19,24)
InChIKeyWUDJGBZZWIFRTF-UHFFFAOYSA-N
XLogP1.13
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-propan-2-ylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149206
N-(4-butylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149102
N-(3,4-difluorophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108549
N-(3-chloro-4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108509
N-naphthalen-2-yl-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide
CID 74224967
N-(2,3-dimethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 17149203
N-propyl-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47139414
N-(2-bromophenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108531
N-(2-methylpropyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 47238319
4-(pyridin-3-ylmethyl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 55743974
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 71892889
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide (CID 75462280) is N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is Cn1cc(NC(=O)N2CCN(Cc3cccnc3)CC2)ccc1=O.
What is the InChIKey of N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is WUDJGBZZWIFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-20-13-15(4-5-16(20)23)19-17(24)22-9-7-21(8-10-22)12-14-3-2-6-18-11-14/h2-6,11,13H,7-10,12H2,1H3,(H,19,24).
What are the key properties of N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide?
N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-6-oxo-3-pyridinyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75462280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).