N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

C18H24Cl2N4O3 — CID 172913085

IUPACN-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccnc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-12-6-10-22(13-3-7-19-8-4-13)18(24)16(12)17(23)21-15-11-14(25-2)5-9-20-15;;/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,20,21,23);2*1H
InChIKeyRLNCSHZXFVLNPN-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.58
Rot. Bonds4

About N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride

N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (PubChem CID 172913085) has the molecular formula C18H24Cl2N4O3 and a molecular weight of 415.32 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
PubChem CID172913085
Molecular FormulaC18H24Cl2N4O3
Molecular Weight415.32 g/mol
Exact Mass414.12
IUPAC NameN-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
SMILESCOc1ccnc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.Cl.Cl
InChIInChI=1S/C18H22N4O3.2ClH/c1-12-6-10-22(13-3-7-19-8-4-13)18(24)16(12)17(23)21-15-11-14(25-2)5-9-20-15;;/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,20,21,23);2*1H
InChIKeyRLNCSHZXFVLNPN-UHFFFAOYSA-N
XLogP2.58
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride (CID 172913085) is N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is COc1ccnc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.Cl.Cl.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
The InChIKey is RLNCSHZXFVLNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.2ClH/c1-12-6-10-22(13-3-7-19-8-4-13)18(24)16(12)17(23)21-15-11-14(25-2)5-9-20-15;;/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,20,21,23);2*1H.
What are the key properties of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride?
N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride has a molecular weight of 415.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 172913085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).