N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C25H32N8O3 — CID 146841949

IUPACN-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES[H]/N=C/c1nc2c(cc1CO)CCCN2C(=O)Nc1cc(N2CCC(O)(CN(C)C)CC2)c(C#N)cn1
InChIInChI=1S/C25H32N8O3/c1-31(2)16-25(36)5-8-32(9-6-25)21-11-22(28-14-19(21)12-26)30-24(35)33-7-3-4-17-10-18(15-34)20(13-27)29-23(17)33/h10-11,13-14,27,34,36H,3-9,15-16H2,1-2H3,(H,28,30,35)/b27-13+
InChIKeySGHXGIXDABSXNJ-UVHMKAGCSA-N
MW492.58 g/mol
LogP1.72
Rot. Bonds6

About N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 146841949) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID146841949
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC NameN-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILES[H]/N=C/c1nc2c(cc1CO)CCCN2C(=O)Nc1cc(N2CCC(O)(CN(C)C)CC2)c(C#N)cn1
InChIInChI=1S/C25H32N8O3/c1-31(2)16-25(36)5-8-32(9-6-25)21-11-22(28-14-19(21)12-26)30-24(35)33-7-3-4-17-10-18(15-34)20(13-27)29-23(17)33/h10-11,13-14,27,34,36H,3-9,15-16H2,1-2H3,(H,28,30,35)/b27-13+
InChIKeySGHXGIXDABSXNJ-UVHMKAGCSA-N
XLogP1.72
TPSA152.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 146841949) is N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is [H]/N=C/c1nc2c(cc1CO)CCCN2C(=O)Nc1cc(N2CCC(O)(CN(C)C)CC2)c(C#N)cn1.
What is the InChIKey of N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is SGHXGIXDABSXNJ-UVHMKAGCSA-N. The full InChI is InChI=1S/C25H32N8O3/c1-31(2)16-25(36)5-8-32(9-6-25)21-11-22(28-14-19(21)12-26)30-24(35)33-7-3-4-17-10-18(15-34)20(13-27)29-23(17)33/h10-11,13-14,27,34,36H,3-9,15-16H2,1-2H3,(H,28,30,35)/b27-13+.
What are the key properties of N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-[4-[(dimethylamino)methyl]-4-hydroxypiperidin-1-yl]-2-pyridinyl]-6-(hydroxymethyl)-7-methanimidoyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 146841949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).