N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

C17H21N5O — CID 131927095

IUPACN-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cc(N2CCC(CNC(=O)c3cnccn3)CC2)ccn1
InChIInChI=1S/C17H21N5O/c1-13-10-15(2-5-19-13)22-8-3-14(4-9-22)11-21-17(23)16-12-18-6-7-20-16/h2,5-7,10,12,14H,3-4,8-9,11H2,1H3,(H,21,23)
InChIKeyRMDAYWJRMVRCAG-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.83
Rot. Bonds4

About N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide

N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide (PubChem CID 131927095) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
PubChem CID131927095
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cc(N2CCC(CNC(=O)c3cnccn3)CC2)ccn1
InChIInChI=1S/C17H21N5O/c1-13-10-15(2-5-19-13)22-8-3-14(4-9-22)11-21-17(23)16-12-18-6-7-20-16/h2,5-7,10,12,14H,3-4,8-9,11H2,1H3,(H,21,23)
InChIKeyRMDAYWJRMVRCAG-UHFFFAOYSA-N
XLogP1.83
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 22052415
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
5-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 71786546
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 66287702
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
4-methyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]thiophene-2-carboxamide
CID 71786550
ethyl [4-[4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930118
N-[(1-cyanopyrrolidin-3-yl)methyl]-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 129246902
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide (CID 131927095) is N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide is Cc1cc(N2CCC(CNC(=O)c3cnccn3)CC2)ccn1.
What is the InChIKey of N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is RMDAYWJRMVRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13-10-15(2-5-19-13)22-8-3-14(4-9-22)11-21-17(23)16-12-18-6-7-20-16/h2,5-7,10,12,14H,3-4,8-9,11H2,1H3,(H,21,23).
What are the key properties of N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide?
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 131927095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).