N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine

C25H26N6 — CID 167366792

IUPACN,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(N(C)C)CC4)cc3n2)n1
InChIInChI=1S/C25H26N6/c1-16-5-4-6-23(28-16)25-20(15-27-30-25)21-11-12-22-24(29-21)13-18(14-26-22)17-7-9-19(10-8-17)31(2)3/h4-7,11-15,19H,8-10H2,1-3H3,(H,27,30)
InChIKeyMRAJBHULIJIFFN-UHFFFAOYSA-N
MW410.53 g/mol
LogP4.89
Rot. Bonds4

About N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine

N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine (PubChem CID 167366792) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine
PubChem CID167366792
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC NameN,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(N(C)C)CC4)cc3n2)n1
InChIInChI=1S/C25H26N6/c1-16-5-4-6-23(28-16)25-20(15-27-30-25)21-11-12-22-24(29-21)13-18(14-26-22)17-7-9-19(10-8-17)31(2)3/h4-7,11-15,19H,8-10H2,1-3H3,(H,27,30)
InChIKeyMRAJBHULIJIFFN-UHFFFAOYSA-N
XLogP4.89
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine?
The IUPAC name of N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine (CID 167366792) is N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine?
The canonical SMILES for N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine is Cc1cccc(-c2[nH]ncc2-c2ccc3ncc(C4=CCC(N(C)C)CC4)cc3n2)n1.
What is the InChIKey of N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine?
The InChIKey is MRAJBHULIJIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6/c1-16-5-4-6-23(28-16)25-20(15-27-30-25)21-11-12-22-24(29-21)13-18(14-26-22)17-7-9-19(10-8-17)31(2)3/h4-7,11-15,19H,8-10H2,1-3H3,(H,27,30).
What are the key properties of N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine?
N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine has a molecular weight of 410.53 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 167366792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).