1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine

C25H29ClN6 — CID 77106422

IUPAC1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc3c(n2)CCN(c2cc(-c4ncc(C)cc4C)c(Cl)cn2)C3)C1
InChIInChI=1S/C25H29ClN6/c1-16-10-17(2)25(29-12-16)20-11-24(28-13-21(20)26)31-9-7-22-18(14-31)4-5-23(30-22)32-8-6-19(15-32)27-3/h4-5,10-13,19,27H,6-9,14-15H2,1-3H3
InChIKeySMZXFHNCBYOCNC-UHFFFAOYSA-N
MW449.00 g/mol
LogP4.17
Rot. Bonds4

About 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine

1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine (PubChem CID 77106422) has the molecular formula C25H29ClN6 and a molecular weight of 449.00 g/mol. Its IUPAC name is 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine
PubChem CID77106422
Molecular FormulaC25H29ClN6
Molecular Weight449.00 g/mol
Exact Mass448.21
IUPAC Name1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccc3c(n2)CCN(c2cc(-c4ncc(C)cc4C)c(Cl)cn2)C3)C1
InChIInChI=1S/C25H29ClN6/c1-16-10-17(2)25(29-12-16)20-11-24(28-13-21(20)26)31-9-7-22-18(14-31)4-5-23(30-22)32-8-6-19(15-32)27-3/h4-5,10-13,19,27H,6-9,14-15H2,1-3H3
InChIKeySMZXFHNCBYOCNC-UHFFFAOYSA-N
XLogP4.17
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.00
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine (CID 77106422) is 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine is CNC1CCN(c2ccc3c(n2)CCN(c2cc(-c4ncc(C)cc4C)c(Cl)cn2)C3)C1.
What is the InChIKey of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is SMZXFHNCBYOCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN6/c1-16-10-17(2)25(29-12-16)20-11-24(28-13-21(20)26)31-9-7-22-18(14-31)4-5-23(30-22)32-8-6-19(15-32)27-3/h4-5,10-13,19,27H,6-9,14-15H2,1-3H3.
What are the key properties of 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine?
1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 449.00 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 77106422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).