N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide

C20H19Cl2N5O2 — CID 10137646

IUPACN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1cc(Cl)cc(Cl)c1)c1nc(N2CCNCC2)c2cccnc2c1O
InChIInChI=1S/C20H19Cl2N5O2/c21-13-8-12(9-14(22)10-13)11-25-20(29)17-18(28)16-15(2-1-3-24-16)19(26-17)27-6-4-23-5-7-27/h1-3,8-10,23,28H,4-7,11H2,(H,25,29)
InChIKeyPIFNFMPMIQRPDW-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.98
Rot. Bonds4

About N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide

N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide (PubChem CID 10137646) has the molecular formula C20H19Cl2N5O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
PubChem CID10137646
Molecular FormulaC20H19Cl2N5O2
Molecular Weight432.31 g/mol
Exact Mass431.09
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide
SMILESO=C(NCc1cc(Cl)cc(Cl)c1)c1nc(N2CCNCC2)c2cccnc2c1O
InChIInChI=1S/C20H19Cl2N5O2/c21-13-8-12(9-14(22)10-13)11-25-20(29)17-18(28)16-15(2-1-3-24-16)19(26-17)27-6-4-23-5-7-27/h1-3,8-10,23,28H,4-7,11H2,(H,25,29)
InChIKeyPIFNFMPMIQRPDW-UHFFFAOYSA-N
XLogP2.98
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide (CID 10137646) is N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide is O=C(NCc1cc(Cl)cc(Cl)c1)c1nc(N2CCNCC2)c2cccnc2c1O.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
The InChIKey is PIFNFMPMIQRPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N5O2/c21-13-8-12(9-14(22)10-13)11-25-20(29)17-18(28)16-15(2-1-3-24-16)19(26-17)27-6-4-23-5-7-27/h1-3,8-10,23,28H,4-7,11H2,(H,25,29).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide?
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 2.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-piperazin-1-yl-1,6-naphthyridine-7-carboxamide is sourced from PubChem (CID 10137646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).